MBC-11

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H20N3O14P3
Molecular Weight	511.2095
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)(P(O)(O)=O)P(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N2C=CC(N)=NC2=O

InChI

InChIKey=HUIKCRXUQCSUJS-ZLRZYOKSSA-N

InChI=1S/C11H20N3O14P3/c1-11(18,29(19,20)21)30(22,23)28-31(24,25)26-4-5-7(15)8(16)9(27-5)14-3-2-6(12)13-10(14)17/h2-3,5,7-9,15-16,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,12,13,17)(H2,19,20,21)/t5-,7-,8+,9-,11?/m1/s1

HIDE SMILES / InChI

Molecular Formula	C11H20N3O14P3
Molecular Weight	511.2095
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:09 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:09 GMT 2023`
Record UNII	4M53T688S5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MBC-11

Common Name

English

2(1H)-PYRIMIDINONE, 4-AMINO-1-(5-O-(1,3,4,5,5-PENTAHYDROXY-4-METHYL-1,3,5-TRIOXIDO-2-OXA-1,3,5-TRIPHOSPHAPENT-1-YL)-.BETA.-D-ARABINOFURANOSYL)-

Systematic Name

English

4-AMINO-1-(5-O-(1,3,4,5,5-PENTAHYDROXY-4-METHYL-1,3,5-TRIOXIDO-2-OXA-1,3,5-TRIPHOSPHAPENT-1-YL)-.BETA.-D-ARABINOFURANOSYL)-2(1H)-PYRIMIDINONE

Systematic Name

English

(1-((((2R,3S,4S,5R)-5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY-HYDROXY-PHOSPHORYL)OXY-HYDROXY-PHOSPHORYL)-1-HYDROXY-ETHYL)PHOSPHONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

332863-86-2