MRS-2365

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H16N5O9P2S.3Na
Molecular Weight	549.276
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].CSC1=NC2=C(N=CN2[C@@H]3[C@H]4C[C@@]4(COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]3O)C(N)=N1

InChI

InChIKey=ZYPJOXVKTCEBCA-PGPREJRXSA-K

InChI=1S/C13H19N5O9P2S.3Na/c1-30-12-16-10(14)6-11(17-12)18(4-15-6)7-5-2-13(5,9(20)8(7)19)3-26-29(24,25)27-28(21,22)23;;;/h4-5,7-9,19-20H,2-3H2,1H3,(H,24,25)(H2,14,16,17)(H2,21,22,23);;;/q;3*+1/p-3/t5-,7-,8+,9+,13+;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H16N5O9P2S
Molecular Weight	480.307
Charge	-3
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 `Wed Apr 02 09:28:53 GMT 2025` Edited by `admin` on `Wed Apr 02 09:28:53 GMT 2025`
Record UNII	CCJ8J6AY9L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MRS-2365

Code

English

DIPHOSPHORIC ACID, MONO(((1R,2R,3S,4R,5S)-4-(6-AMINO-2-(METHYLTHIO)-9H-PURIN-9-YL)-2,3-DIHYDROXYBICYCLO(3.1.0)HEX-1-, YL)METHYL) ESTER, TRISODIUM SALT

Preferred Name

English

MRS2365

Code

English

Code System Code Type Description

PUBCHEM

131700247

Created by admin on Wed Apr 02 09:28:53 GMT 2025 , Edited by admin on Wed Apr 02 09:28:53 GMT 2025

PRIMARY

FDA UNII

CCJ8J6AY9L

Created by admin on Wed Apr 02 09:28:53 GMT 2025 , Edited by admin on Wed Apr 02 09:28:53 GMT 2025

PRIMARY

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