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riboflavin-5'-phosphate sodium salt dihydrate

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Name

riboflavin-5'-phosphate sodium salt dihydrate

EINECS 204-988-6
CAS No. 6184-17-4 Density N/A
PSA 242.02000 LogP -0.81040
Solubility 0.1 g/mL, clear, orange-yellow in water Melting Point >300°C
Formula C17H24N4NaO11P Boiling Point N/A
Molecular Weight 514.361 Flash Point N/A
Transport Information N/A Appearance Yellowish crystalline powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 6184-17-4 (riboflavin-5'-phosphate sodium salt dihydrate) Hazard Symbols N/A
Synonyms

Riboflavine5'-(dihydrogen phosphate), monosodium salt, dihydrate (8CI);Alloxazine mononucleotidedihydrate;Coflavinase dihydrate;Cytoflav dihydrate;Flavin mononucleotidedihydrate;Riboflavin 5'-phosphate ester monosodium salt dihydrate;Riboflavin5'-phosphate sodium dihydrate;Vitamin B2 phosphate (sodium salt) dihydrate;

 

riboflavin-5'-phosphate sodium salt dihydrate Specification

The riboflavin-5'-phosphate sodium salt dihydrate, with the CAS registry number 6184-17-4 and EINECS registry number 204-988-6, has the systematic name of sodium (2R,3S,4S)-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-3,4-dihydroxy-5-(phosphonooxy)pentan-2-olate hydrate (1:1:2). It is a kind of yellowish crystalline powder, and the molecular formula of this chemical is C17H24N4NaO11P. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. In addition, it should be stored at 2-8°C.

The physical properties of Pyridoxamine dihydrochloride are as following: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -5.52; (4)ACD/LogD (pH 7.4): -6.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 13; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 158.6 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=P(O)(O)OC[C@H](O)[C@H](O)[C@H]([O-])CN\2c3cc(c(cc3/N=C1\C/2=N/C(=O)NC1=O)C)C.O.O
(2)InChI: InChI=1/C17H20N4O9P.Na.2H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;;/h3-4,11-12,14,23-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;2*1H2/q-1;+1;;/t11-,12+,14-;;;/m1.../s1
(3)InChIKey: DSUQHAJMVCHMFF-VLRKVHMYBQ

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