chempirical

Bapta-am

C34H40N2O18CAS 126150-97-8764.69 g/mol

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AcetalEsterEtherTertiary amine

Properties

Molecular formula
C34H40N2O18
Molar mass
764.69 g/mol
Exact mass
764.2276 Da
logP
1.01Crippen estimate
Polar surface area
235.3 Ų
H-bond donors / acceptors
0 / 20
Rotatable bonds
23

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
126150-97-8
SMILES
CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChIKey
YJIYWYAMZFVECX-UHFFFAOYSA-N
InChI
InChI=1S/C34H40N2O18/c1-23(37)47-19-51-31(41)15-35(16-32(42)52-20-48-24(2)38)27-9-5-7-11-29(27)45-13-14-46-30-12-8-6-10-28(30)36(17-33(43)53-21-49-25(3)39)18-34(44)54-22-50-26(4)40/h5-12H,13-22H2,1-4H3

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Work with Bapta-am

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

BAPTA85233-19-853 % similar Fura 2AM108964-32-545 % similar Ethylene glycol phenyl ether acetate6192-44-544 % similar Diacetyl-N-phenyldiethanolamine19249-34-443 % similar Phenethyl acetate103-45-740 % similar 3-Phenylpropyl acetate122-72-539 % similar Benzyl acetate140-11-438 % similar 3-[[2-(Acetyloxy)ethyl]phenylamino]propanenitrile22031-33-037 % similar

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

Elsewhere

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