chempirical

Biopterin

C9H11N5O3CAS 22150-76-1237.22 g/mol

Open in Covalent MOL file
HOHONNHNHNHON
AlcoholPhenol

Properties

Molecular formula
C9H11N5O3
Molar mass
237.22 g/mol
Exact mass
237.0862 Da
Melting point
300 °C (decomposes)
logP
-1.05Crippen estimate
Polar surface area
139.0 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
22150-76-1
SMILES
C[C@H](O)[C@H](O)c1cnc2[nH]c(=N)nc(O)c2n1
InChIKey
LHQIJBMDNUYRAM-DZSWIPIPSA-N
InChI
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 4(1H)-Pteridinone, 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-
  • 4(3H)-Pteridinone, 2-amino-6-(L-erythro-1,2-dihydroxypropyl)-
  • 4(1H)-Pteridinone, 2-amino-6-(1,2-dihydroxypropyl)-, [S-(R*,S*)]-
  • 2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4(1H)-pteridinone
  • L-Erythro-Biopterin
  • Pterin H B2
  • L-Biopterin
  • 6-Biopterin
  • (-)-Biopterin
  • NSC 339699

Work with Biopterin

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

Pterin2236-60-453 % similar 6,7-Dimethylpterin611-55-246 % similar Tetrahydrobiopterin17528-72-240 % similar Sapropterin62989-33-740 % similar Guanine73-40-540 % similar 7-Methylguanine578-76-739 % similar Xanthopterin monohydrate5979-01-138 % similar Sapropterin dihydrochloride69056-38-838 % similar

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

Elsewhere

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