chempirical

Tetrahydrobiopterin

C9H15N5O3CAS 17528-72-2241.25 g/mol

Open in Covalent MOL file
HOHONHNHNHNHOHN
AlcoholPhenolSecondary amine

Properties

Molecular formula
C9H15N5O3
Molar mass
241.25 g/mol
Exact mass
241.1175 Da
logP
-1.46Crippen estimate
Polar surface area
137.3 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
2

Identifiers

CAS number
17528-72-2
SMILES
CC(O)C(O)C1CNc2[nH]c(=N)nc(O)c2N1
InChIKey
FNKQXYHWGSIFBK-UHFFFAOYSA-N
InChI
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4(3H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-
  • 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-
  • 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone
  • 5,6,7,8-Tetrahydrobiopterin

Work with Tetrahydrobiopterin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sapropterin dihydrochloride69056-38-893 % similar Dihydrobiopterin6779-87-946 % similar Biopterin22150-76-140 % similar Tetrahydrofolic acid135-16-038 % similar 2-Amino-5-bromo-6-methyl-4-pyrimidinol6307-35-333 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-932 % similar 8-Bromoguanosine4016-63-130 % similar Pterin2236-60-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sapropterin62989-33-7

Elsewhere

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