Nikkol VC-IP

C₇₀H₁₂₈O₁₀CAS 183476-82-61129.78 g/mol

Open in Covalent MOL file

Alkene Ester Lactone

Properties

Molecular formula: C₇₀H₁₂₈O₁₀
Molar mass: 1129.78 g/mol
Exact mass: 1128.9508 Da
logP: 21.01Crippen estimate
Polar surface area: 131.5 Å²
H-bond donors / acceptors: 0 / 10
Rotatable bonds: 58
Stereocentres: S, Rin SMILES atom order

Hazards

Warning

H317 May cause an allergic skin reaction97.3% of notifiers
H400 Very toxic to aquatic life95.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects98.2% of notifiers

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

183476-82-6

SMILES

CCCCCCCCC(CCCCCC)C(=O)OC[C@H](OC(=O)C(CCCCCC)CCCCCCCC)[C@H]1OC(=O)C(OC(=O)C(CCCCCC)CCCCCCCC)=C1OC(=O)C(CCCCCC)CCCCCCCC

InChIKey

OEWBEINAQKIQLZ-CMRBMDBWSA-N

InChI

InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1

Weigh it out

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

Names and synonyms

6 names

L-Ascorbic acid, 2,3,5,6-tetrakis(2-hexyldecanoate)
L-Ascorbic acid, tetrakis(2-hexyldecanoate)
BV-OSC
Vitamin C tetra-isopalmitate
VC-IP
Ascorbyl tetra-2-hexyldecanoate

Work with Nikkol VC-IP

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

Dodecylsuccinic anhydride2561-85-546 % similar Alc-03152036272-55-441 % similar Ethyl cyclohexanecarboxylate3289-28-940 % similar Cyclohexane-1,4-diylbismethylene bis(2-ethylhexanoate)53148-32-638 % similar Ethyl cyclobutanecarboxylate14924-53-935 % similar Hexyl isobutyrate2349-07-735 % similar Ethyl 2-bromotetradecanoate14980-92-835 % similar Ethyl 2-bromooctanoate5445-29-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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