chempirical

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. Search the SDS library

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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