Fmoc-D-asp-oh

C₁₉H₁₇NO₆CAS 136083-57-3355.35 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₉H₁₇NO₆
Molar mass: 355.35 g/mol
Exact mass: 355.1056 Da
logP: 2.45Crippen estimate
Polar surface area: 112.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

136083-57-3

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C(=O)O

InChIKey

KSDTXRUIZMTBNV-MRXNPFEDSA-N

InChI

InChI=1S/C19H17NO6/c21-17(22)9-16(18(23)24)20-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,20,25)(H,21,22)(H,23,24)/t16-/m1/s1

Weigh it out

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

Work with Fmoc-D-asp-oh

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-L-aspartic acid119062-05-4Enantiomer

Similar compounds

Fmoc-L-glutamic acid121343-82-679 % similar Fmoc-D-asn-OH108321-39-777 % similar Fmoc-D-ser-oh116861-26-874 % similar Fmoc-L-serine73724-45-574 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-573 % similar Fmoc-D-abu-oh170642-27-073 % similar Fmoc-dap(fmoc)-oh201473-90-773 % similar Fmoc-T-butyl-L-alanine139551-74-972 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook