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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H26N5O18P3
Molecular Weight 669.3216
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADENOPHOSTIN A

SMILES

[H][C@]4(O[C@@H]1[C@@H](CO)O[C@H]([C@@H]1OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]4O

InChI

InChIKey=RENVITLQVBEFDT-MZQFDOALSA-N
InChI=1S/C16H26N5O18P3/c17-13-7-14(19-3-18-13)21(4-20-7)15-12(39-42(31,32)33)9(5(1-22)34-15)36-16-8(24)11(38-41(28,29)30)10(6(2-23)35-16)37-40(25,26)27/h3-6,8-12,15-16,22-24H,1-2H2,(H2,17,18,19)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)/t5-,6-,8-,9-,10-,11-,12-,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H26N5O18P3
Molecular Weight 669.3216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:10 GMT 2023
Record UNII
2S7AR5SVD7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADENOPHOSTIN A
Common Name English
2'-ADENYLIC ACID, 3'-O-(3,4-DI-O-PHOSPHONO-.ALPHA.-D-GLUCOPYRANOSYL)-
Common Name English
Code System Code Type Description
PUBCHEM
123695
Created by admin on Sat Dec 16 11:02:10 GMT 2023 , Edited by admin on Sat Dec 16 11:02:10 GMT 2023
PRIMARY
CAS
149091-92-9
Created by admin on Sat Dec 16 11:02:10 GMT 2023 , Edited by admin on Sat Dec 16 11:02:10 GMT 2023
PRIMARY
WIKIPEDIA
Adenophostin
Created by admin on Sat Dec 16 11:02:10 GMT 2023 , Edited by admin on Sat Dec 16 11:02:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID10164167
Created by admin on Sat Dec 16 11:02:10 GMT 2023 , Edited by admin on Sat Dec 16 11:02:10 GMT 2023
PRIMARY
FDA UNII
2S7AR5SVD7
Created by admin on Sat Dec 16 11:02:10 GMT 2023 , Edited by admin on Sat Dec 16 11:02:10 GMT 2023
PRIMARY
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ACTIVE MOIETY