6-Mercaptopurine ribonucleoside 5′-diphosphate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H14N4O10P2S
Molecular Weight	444.251
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Mercaptopurine ribonucleoside 5′-diphosphate

Structure Search

SMILES

O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N2C=NC3=C2NC=NC3=S

InChI

InChIKey=MHJZYMCYLFGDRD-KQYNXXCUSA-N

InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H14N4O10P2S
Molecular Weight	444.251
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:32:53 GMT 2023` Edited by `admin` on `Sat Dec 16 15:32:53 GMT 2023`
Record UNII	X68WXD4Y4N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-Mercaptopurine ribonucleoside 5′-diphosphate

Common Name

English

9H-Purine-6-thiol, 9-β-D-ribofuranosyl-, 5′-pyrophosphate

Common Name

English

[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methylphosphonohydrogenphosphate

Systematic Name

English

6-Mercapto-9-β-D-ribofuranosylpurine 5′-diphosphate

Common Name

English

Inosine 5′-(trihydrogen diphosphate), 6-thio-

Common Name

English

Code System Code Type Description

FDA UNII

X68WXD4Y4N

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

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EPA CompTox

DTXSID70230372

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

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PUBCHEM

3038401

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

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CAS

805-63-0

Created by admin on Sat Dec 16 15:32:53 GMT 2023 , Edited by admin on Sat Dec 16 15:32:53 GMT 2023

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