AG003JUE

63593-03-3 | 3-O-Benzyl-4-(hydroxymethyl-1,2-o-isopropylidene)-alpha-d-erythropentofuranose

AG003JUE

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CAS Number	63593-03-3
Catalog Number	AG003JUE(AGN-PC-0T97F7)
Chemical Name	3-O-Benzyl-4-(hydroxymethyl-1,2-o-isopropylidene)-alpha-d-erythropentofuranose
EC Number	613-267-9
IUPAC Name	[(3aR,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
InChI	InChI=1S/C16H22O6/c1-15(2)20-12-13(19-8-11-6-4-3-5-7-11)16(9-17,10-18)22-14(12)21-15/h3-7,12-14,17-18H,8-10H2,1-2H3/t12-,13+,14+/m1/s1
InChI Key	QVXXTLFHRGMIHD-RDBSUJKOSA-N
MDL Number	MFCD08704144
Molecular Formula	C16H22O6
Molecular Weight	310.3423
SMILES	C(C1=CC=CC=C1)O[C@@H]1C(O[C@@H]2OC(O[C@@H]21)(C)C)(CO)CO
Synonyms	3-O-benzyl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose, 63593-03-3, 3-O-Benzyl-4-(hydroxymethyl)-1,2-O-isopropylidene-a-D-ribofuranose, ((3aR,6S,6aR)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5,5-diyl)dimethanol, [(3aR,6S,6aR)-6-(benzyloxy)-5-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]methanol, 3-O-Benzyl-4-C-hydroxyMethyl-1,2-O-isopropylidene-alpha-D-ribofuranose, ((3aR,6S,6aR)-6-Benzyloxy-5-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-5-yl)-methanol, 3-O-Benzyl-4-(hydroxymethyl-1,2-O-isopropylidene)-alpha-D-erythropentofuranose, AK167100, SCHEMBL1096325, SCHEMBL15488892, MFCD08704144, ZINC44615819, AKOS015891304, DS-9221, QC-4352, BC278628, SC-49247, CS-0053055, I01-9708, W-203360, 3-O-BENZYL-4-(HYDROXYMETHYL-1,2-O-ISOPROPYLIDENE)-, 1-O,2-O-Isopropylidene-3-O-benzyl-4-(hydroxymethyl)-alpha-D-ribofuranose, 3-O-BENZYL-4-(HYDROXYMETHYL-1,2-O-ISOPROPYLIDENE)--D-ERYTHROPENTOFURANOSE, QVXXTLFHRGMIHD-RDBSUJKOSA-N, ACN-049859, CID10881451, CID 11098934, 3-O-BENZYL-4- -ALPHA-D-ERYTHROPENTOFURANOSE, 3-O-benzyl-4-C-hydroxymethyl-1,2-O-isopropylidene-|A-D-ribofuranose,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	310.142g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	310.346g/mol
Monoisotopic Mass	310.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	77.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number