Dihydrobiopterin

C9H13N5O3CAS 6779-87-9239.24 g/mol

Open in Covalent MOL file
HOHONHONNHNHNH
AlcoholIminePhenolSecondary amine

Properties

Molecular formula
C9H13N5O3
Molar mass
239.24 g/mol
Exact mass
239.1018 Da
logP
-1.17Crippen estimate
Polar surface area
137.6 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
6779-87-9
SMILES
C[C@H](O)[C@H](O)C1=Nc2c(O)nc(=N)[nH]c2NC1
InChIKey
FEMXZDUTFRTWPE-DZSWIPIPSA-N
InChI
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 4(3H)-Pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-
  • 1,2-Propanediol, 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-, L-erythro-
  • 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, [S-(R*,S*)]-
  • 4(1H)-Pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-
  • 2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-4(3H)-pteridinone
  • 7,8-Dihydrobiopterin
  • L-Erythro-7,8-Dihydrobiopterin
  • L-Erythro-Dihydrobiopterin
  • 7,8-Dihydro-L-biopterin

Work with Dihydrobiopterin

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

Tetrahydrobiopterin17528-72-246 % similar Sapropterin62989-33-746 % similar Sapropterin dihydrochloride69056-38-844 % similar Dihydrofolic acid4033-27-638 % similar Biopterin22150-76-136 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-933 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-632 % similar 2-Amino-5-bromo-6-methyl-4-pyrimidinol6307-35-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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