MRS-2339

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H15ClN5O6P
Molecular Weight	391.704
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(Cl)=NC2=C1N=CN2[C@@H]3[C@H]4C[C@@]4(COP(O)(O)=O)[C@@H](O)[C@H]3O

InChI

InChIKey=FTSUGKZNIRUKKK-OBPILZPTSA-N

InChI=1S/C12H15ClN5O6P/c13-11-16-9(14)5-10(17-11)18(3-15-5)6-4-1-12(4,8(20)7(6)19)2-24-25(21,22)23/h3-4,6-8,19-20H,1-2H2,(H2,14,16,17)(H2,21,22,23)/t4-,6-,7+,8+,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H15ClN5O6P
Molecular Weight	391.704
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:40:54 GMT 2023` Edited by `admin` on `Sat Dec 16 16:40:54 GMT 2023`
Record UNII	D4HS0C4GYK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS-2339

Code

English

MRS2339

Code

English

(1R,2R,3S,4R,5S)-4-(6-AMINO-2-CHLORO-9H-PURIN-9-YL)-1-((PHOSPHONOOXY)METHYL)BICYCLO(3.1.0)HEXANE-2,3-DIOL

Systematic Name

English

(+)-MRS-2339

Code

English

Code System Code Type Description

CAS

436847-13-1

Created by admin on Sat Dec 16 16:40:55 GMT 2023 , Edited by admin on Sat Dec 16 16:40:55 GMT 2023

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FDA UNII

D4HS0C4GYK

Created by admin on Sat Dec 16 16:40:55 GMT 2023 , Edited by admin on Sat Dec 16 16:40:55 GMT 2023

PRIMARY

PUBCHEM

11069215

Created by admin on Sat Dec 16 16:40:55 GMT 2023 , Edited by admin on Sat Dec 16 16:40:55 GMT 2023

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Related Record Type Details


					D4HS0C4GYK

MRS-2339

ACTIVE MOIETY