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+].[H][C@]12C[C@@]1(COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@@H](O)[C@@H]2N3C=NC4=C(N)N=C(SC)N=C34

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

Approval Year

Name

Type

Language

MRS-2365

Code

English

MRS2365

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

131700247

Created by admin on Sat Dec 16 17:42:43 GMT 2023 , Edited by admin on Sat Dec 16 17:42:43 GMT 2023

PRIMARY

FDA UNII

CCJ8J6AY9L

Created by admin on Sat Dec 16 17:42:43 GMT 2023 , Edited by admin on Sat Dec 16 17:42:43 GMT 2023

PRIMARY

ACTIVE MOIETY