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riboflavin-5'-phosphate sodium salt dihydrate

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  • Name riboflavin-5'-phosphate sodium salt dihydrate
  • EINECS204-988-6
  • CAS No. 6184-17-4
  • DensityN/A
  • PSA242.02000
  • LogP-0.81040
  • Solubility0.1 g/mL, clear, orange-yellow in water
  • Melting Point>300°C
  • FormulaC17H24N4NaO11P
  • Boiling PointN/A
  • Molecular Weight514.361
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceYellowish crystalline powder
  • Safety22-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6184-17-4 (riboflavin-5'-phosphate sodium salt dihydrate)
  • Hazard SymbolsN/A
  • SynonymsN/A

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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