Riboflavin Monophosphate
Thuốc Gốc
Small Molecule
CAS: 146-17-8
CTHH: C17H21N4O9P
PTK: 456.3438
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H21N4O9P
Phân tử khối
456.3438
Monoisotopic mass
456.104614802
InChI
InChI=1S/C17H21N4O9P/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)/t11-,12-,14-/m1/s1
InChI Key
InChIKey=FVTCRASFADXXNN-YRGRVCCFSA-N
IUPAC Name
{[(2R,3R,4R)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid
Traditional IUPAC Name
[(2R,3R,4R)-5-{7,8-dimethyl-2,4-dioxo-3H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxyphosphonic acid
SMILES
CC1=CC2=C(C=C1C)N(C[C@@H](O)[C@@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2
Độ hòa tan
6.68e-01 g/l
logP
-1.2
logS
-2.8
pKa (strongest acidic)
1.57
pKa (Strongest Basic)
0.68
PSA
201.58 Å2
Refractivity
107.14 m3·mol-1
Polarizability
42.47 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
KEGG Compound
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