Casein phosphopeptide

C₄₄H₆₄O₅CAS 691364-49-5672.99 g/mol

Open in Covalent MOL file

Alcohol Alkene Alkyne

Properties

Molecular formula: C₄₄H₆₄O₅
Molar mass: 672.99 g/mol
Exact mass: 672.4754 Da
logP: 8.04Crippen estimate
Polar surface area: 101.2 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 28

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

691364-49-5

SMILES

C#CC(C=CCCCCCCCCCCCC=CCCCCC=CCCC=CC#CC(C#CC(CCCCC(C=CC(C#C)O)O)O)O)O

InChIKey

KYGMBSAVQJMJPR-UHFFFAOYSA-N

InChI

InChI=1S/C44H64O5/c1-3-40(45)32-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-33-42(47)38-39-44(49)35-31-30-34-43(48)37-36-41(46)4-2/h1-2,5,7,17,19,25,27-28,32,36-37,40-49H,6,8-16,18,20-24,26,30-31,34-35H2

Weigh it out

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

Names and synonyms

1 names

Casein calcium oeotide

Work with Casein phosphopeptide

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

2-Cyclohexen-1-ol822-67-331 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook