chempirical

Galactosylceramide

C43H83NO8CAS 85305-88-0742.14 g/mol

Open in Covalent MOL file
ONHOOHOOHOHHOOH
AcetalAlcoholAlkeneAmideEther

Properties

Molecular formula
C43H83NO8
Molar mass
742.14 g/mol
Exact mass
741.6119 Da
logP
8.56Crippen estimate
Polar surface area
148.7 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
36
Stereocentres
S, R, R, S, R, R, Rin SMILES atom order
Double bonds
EE/Z, in SMILES 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
85305-88-0
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCCC)O
InChIKey
DDOVBCWVTOHGCU-QMXMISKISA-N
InChI
InChI=1S/C43H83NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(47)44-36(35-51-43-42(50)41(49)40(48)38(34-45)52-43)37(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h30,32,36-38,40-43,45-46,48-50H,3-29,31,33-35H2,1-2H3,(H,44,47)/b32-30+/t36-,37+,38+,40-,41-,42+,43+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Galactocerebroside CNC-2
  • Cerebroside BAC-4
  • β-Galactosylceramide
  • Ceramide, 1-O-β-D-galactopyranosyl-
  • Ganglioside GL1b
  • Galactocerebroside
  • Galactosylcerebroside
  • Galβ1→1ceramide
  • Cerebrogalactosides

Work with Galactosylceramide

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

Ceramides104404-17-375 % similar Pullulanase9075-68-774 % similar Octyl α-D-glucopyranoside29781-80-448 % similar Octyl glucoside29836-26-848 % similar Decyl glucoside58846-77-848 % similar Hexyl β-D-glucopyranoside59080-45-448 % similar Lauryl glucoside59122-55-348 % similar Nonyl β-D-glucopyranoside69984-73-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook