Riboflavin5'-(dihydrogen phosphate), sodium salt (1:1) (130-40-5)

The Riboflavin 5'-phosphate sodium, with the cas registry number 130-40-5, has the IUPAC name of  sodium [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl]hydrogen phosphate. This chemical is soluble in water while insoluble in ethanol, and it is incompatible with strong oxidizing agents, reducing agents, bases, calcium, metallic salts. Besides, its product categories are including Biochemistry; Vitamins; Vitamins and derivatives; Vitamin Ingredients. As to its usage, being a kind of vitamin medicines for the treatment of a variety of VB2 deficiency, it is usually used in food additive with great amount.

The characteristics of this kind of chemical are as follows: (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; (13)Exact Mass: 478.086559; (14)MonoIsotopic Mass: 478.086559; (15)Topological Polar Surface Area: 204; (16)Heavy Atom Count: 32; (17)Formal Charge: 0; (18)Complexity: 856.

When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. Being a kind of irritant chemical to eyes and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should take the following instructions. Wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Lastly, remember not to breathe dust while using.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]
(2)Isomeric SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)[O-])O)O)O.[Na+]
(3)InChI: 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(22)14(24)12(23)6-30-31(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-;/m1./s1
(4)InChIKey: OHSHFZJLPYLRIP-LQDWTQKMSA-M