SAICAR DIBARIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H15N4O12P.2Ba
Molecular Weight	724.906
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ba++].[Ba++].NC1=C(N=CN1[C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2O)C(=O)N[C@@H](CC([O-])=O)C([O-])=O

InChI

InChIKey=PPKOPCLLXBFYGS-KGBHUAOWSA-J

InChI=1S/C13H19N4O12P.2Ba/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27;;/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27);;/q;2*+2/p-4/t4-,5+,8+,9+,12+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Ba
Molecular Weight	137.327
Charge	2
Count

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

Molecular Formula	C13H15N4O12P
Molecular Weight	450.2516
Charge	-4
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 14:46:38 GMT 2023` Edited by `admin` on `Sat Dec 16 14:46:38 GMT 2023`
Record UNII	I541M0LM1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAICAR DIBARIUM

Common Name

English

ASPARTIC ACID, N-((5-AMINO-1-.BETA.-D-RIBOFURANOSYLIMIDAZOL-4-YL)CARBONYL)-, 5'-(DIHYDROGEN PHOSPHATE), BARIUM SALT (1:2), L-

Systematic Name

English

L-ASPARTIC ACID, N-((5-AMINO-1-(5-O-PHOSPHONO-.BETA.-D-RIBOFURANOSYL)-1H-IMIDAZOL-4-YL)CARBONYL)-, BARIUM SALT (1:2)

Systematic Name

English

SAICAR DIBARIUM SALT [MI]

Common Name

English

SAICAR DIBARIUM SALT

Common Name

English

Code System Code Type Description

CAS

6057-44-9