Chemical Properties of Riboflavine (CAS 83-88-5)

InChI

InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)

InChI Key

AUNGANRZJHBGPY-UHFFFAOYSA-N

Formula

C17H20N4O6

SMILES

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C

Molecular Weight¹

376.36

CAS

83-88-5

Other Names

• 6,7-Dimethyl-9-D-ribitylisoalloxazine
• 7,8-Dimethyl-10-(d-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine
• 7,8-Dimethyl-10-ribitylisoalloxazine
• Aqua-Flave
• Beflavin
• Beflavine
• Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-
• D-Ribitol, 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-
• Dermadram
• Fiboflavin
• Flavaxin
• Flavin BB
• Flaxain
• Hyflavin
• Hyre
• Isoalloxazine, 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-
• Isoalloxazine, 7,8-dimethyl-10-D-ribityl-
• Lactobene
• Lactoflavin
• Lactoflavine
• Lactoflavine, zinvit-g
• NSC 33298
• Ovoflavin
• Ribipca
• Ribocrisina
• Riboderm
• Ribosyn
• Ribotone
• Ribovel
• Russupteridine Yellow III
• Vitaflavine
• Vitamin B2
• Vitamin Bi
• Vitamin G
• Vitasan B2
• riboflavin

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.3377		Relay (1.0) Calculated Property
ΔfG°	-259.63	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-798.49	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	198.83	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	[-3.69; -3.68]
log10WS	-3.68		Aq. Solubility Prediction
log10WS	-3.69		Estimated Solubility
logPoct/wat	-2.205		Crippen Calculated Property
McVol	262.850	ml/mol	McGowan Calculated Property
Pc	2144.23	kPa	Relay (1.0-beta) Calculated Property
Tboil	814.08	K	Relay (1.0) Calculated Property
Tc	1223.82	K	Relay (1.0) Calculated Property
Tfus	519.86	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Riboflavine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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