U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20N4O9P.Na
Molecular Weight 478.3256
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIBOFLAVIN 3'-PHOSPHATE SODIUM

SMILES

[Na+].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](OP(O)([O-])=O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=N2

InChI

InChIKey=CBTBWMJAHGSOKL-BMZHGHOISA-M
InChI=1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(23)14(12(24)6-22)30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H20N4O9P
Molecular Weight 455.3359
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:38:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:01 GMT 2023
Record UNII
J3R2VFC5FL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIBOFLAVIN 3'-PHOSPHATE SODIUM
Common Name English
FMN 3'-PHOSPHATE SODIUM
Common Name English
RIBOFLAVIN 3'-(DIHYDROGEN PHOSPHATE), MONOSODIUM SALT
Systematic Name English
Code System Code Type Description
CAS
494789-94-5
Created by admin on Sat Dec 16 18:38:01 GMT 2023 , Edited by admin on Sat Dec 16 18:38:01 GMT 2023
PRIMARY
FDA UNII
J3R2VFC5FL
Created by admin on Sat Dec 16 18:38:01 GMT 2023 , Edited by admin on Sat Dec 16 18:38:01 GMT 2023
PRIMARY
CAS
1388679-88-6
Created by admin on Sat Dec 16 18:38:01 GMT 2023 , Edited by admin on Sat Dec 16 18:38:01 GMT 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
155884419
Created by admin on Sat Dec 16 18:38:01 GMT 2023 , Edited by admin on Sat Dec 16 18:38:01 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE