AG003993

9012-76-4 | Poly(beta-(1,4)-2-amino-2-deoxy-D-glucose)

AG003993

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CAS Number	9012-76-4
Catalog Number	AG003993(AGN-PC-0VQ2R7)
Chemical Name	Poly(beta-(1,4)-2-amino-2-deoxy-D-glucose)
EC Number	618-480-0
IUPAC Name	methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
InChI	InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1
InChI Key	FLASNYPZGWUPSU-SICDJOISSA-N
MDL Number	MFCD00161512
Molecular Formula	C56H103N9O39
Molecular Weight	1526.4539
SMILES	COC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)N)O)CO)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O
Synonyms	Chitosan, Poliglusam, Chitosan, Poliglusam, Deacetylchitin, Chicol, Flonac C, Flonac N, Sea Cure Plus, Kytex H, Kytex M, Kimitsu Chitosan F, Kimitsu Chitosan H, Kimitsu Chitosan L, Kimitsu Chitosan M, Sea Cure F, Chitopearl 3510, Kimitsu Chitosan F 2, Chitopearl BC 3000, Chitopearl BCW 2500, Chitopearl BCW 3000, Chitopearl BCW 3500, Chitopearl BCW 3505, Chitopearl BCW 3507, CTA 4, 9012-76-4, Poliglusam [USAN:INN], Dac 70, CCRIS 9144, EPA Pesticide Chemical Code 128930, YEA, Celox, Chitosan, molecular weight: 100,000-300,000, Chitosan, molecular weight: 600,000-800,000, UNII-82LKS4QV2Y, UNII-SBD1A2I75N, UNII-5GV09YMO52, UNII-7SRJ3W89J8, UNII-23R93M6Y64, Poly (D-glucosamine), AC1L2GXD, AC1Q44BU, 82LKS4QV2Y, SBD1A2I75N, SCHEMBL972215, 5GV09YMO52, 7SRJ3W89J8, beta-1,4-Poly-delta-glucosamine, AKOS015918343, 23R93M6Y64, FS-4075, LS-52978, 2-amino-2-deoxy-|A-d-glucopyranosyl-(1-, A845562, I14-7723, methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-5-[(2S,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hy, N-[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-5-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-hydroxy-6-(hy, Chitin, deacylated, beta-1,4-Poly-D-glucosamine, Chitosan, From Shrimp Shells 25gm, CID71853, AR-1D8166, c0831, C2395, C2396, D048271, 96-21-9, 2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-deoxy-2-[(methoxycarbonyl)amino]-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranosyl-(1->4)-2-amino-2-deoxy-|A-d-glucopyranose, methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate, methyl N-[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate,

Complexity	2630
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	45
Defined Bond Stereocenter Count	0
Exact Mass	1525.635g/mol
Formal Charge	0
Heavy Atom Count	104
Hydrogen Bond Acceptor Count	47
Hydrogen Bond Donor Count	29
Isotope Atom Count	0
Molecular Weight	1526.464g/mol
Monoisotopic Mass	1525.635g/mol
Rotatable Bond Count	27
Topological Polar Surface Area	808A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-21.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number