AG003B41

2140-11-6 | 2,3-O-Isopropylideneinosine

AG003B41

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CAS Number	2140-11-6
Catalog Number	AG003B41(AGN-PC-0QXZY2)
Chemical Name	2,3-O-Isopropylideneinosine
EC Number	218-388-7
IUPAC Name	9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one
InChI	InChI=1S/C13H16N4O5/c1-13(2)21-8-6(3-18)20-12(9(8)22-13)17-5-16-7-10(17)14-4-15-11(7)19/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,19)/t6-,8-,9-,12-/m1/s1
InChI Key	LIEKLUBCIPVWQD-WOUKDFQISA-N
MDL Number	MFCD00038002
Molecular Formula	C13H18N4O5
Molecular Weight	310.3058
SMILES	[H]C1(OC([H])(CO)C2([H])(OC(OC12([H]))(C)C))(n4cnc3C(=O)NCNc34)
Synonyms	2',3'-O-Isopropylideneinosine, 2140-11-6, 2',3'-Isopropylideneinosine, 9-((3aR,4R,6R,6aR)-6-(Hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-9H-purin-6-ol, 2',3'-o-(1-methylethylidene)inosine, AK-96692, NSC 29925, AC1L2SDM, AC1Q2CRA, 2',3'-Ipr-Ino, AC1Q6O9J, MLS002279957, SCHEMBL2291671, CHEMBL1591551, LIEKLUBCIPVWQD-WOUKDFQISA-N, HMS2215O16, EINECS 218-388-7, CI-090, MFCD00038002, ZINC13546310, AKOS015896929, AKOS030489196, CS-W008136, AJ-64144, DS-18563, SC-46198, SMR001318094, AX8002166, 140I116, 2 inverted exclamation marka,3 inverted exclamation marka-O-Isopropylideneinosine, 9-((3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-purin-6(9H)-one, 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purin-6-one, 9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]-6,9-dihydro-1H-purin-6-one, 2'-O,3'-O-Isopropylideneinosine, AR-1D2801, CID102211, 2',3'-O-Isopropylideneinosine, 98% - 1G 1g, 2298-07-9,

Complexity	513
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	308.112g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	308.294g/mol
Monoisotopic Mass	308.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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