Basic information
- Name:
Riboflavin5'-(dihydrogen phosphate), monosodium salt, dihydrate (9CI)
- Superlist Name:
- Riboflavin 5'-monophosphate sodium salt dihydrate
- CAS No.:
6184-17-4
- Molecular Structure:
- Formula:
- C17H24N4NaO11P
- Molecular Weight:
- 514.36
- 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;
- EINECS:
- 204-988-6
- Melting Point:
- >300°C
- Solubility:
- 0.1 g/mL, clear, orange-yellow in water
- Appearance:
- Yellowish crystalline powder
- Safety Description:
- 22-24/25 Details
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Specification
The Riboflavin 5'-monophosphate 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