131875-08-6
LEXACALCITOL
Name
LEXACALCITOL
Formula
C29 H48 O4
MolWeight
460.694
1Identification
【Name】
LEXACALCITOL
【CAS】
【MDL】
MFCD00867078
【English Synonyms】
【Formula】
C29 H48 O4
【MolWeight】
460.694
【Inchi】
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1
【InChIKey】
InChIKey=KLZOTDOJMRMLDX-YBBVPDDNSA-N
【SMILES】
CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
LEXACALCITOL.cml
Quick Release
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ChemScene,LLC
Catalog No:CS-0399 1mg
Catalog No:CS-0399 10mg
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MedChem Express,LLC
Catalog No:HY-32340 1mg
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ACC Corporation
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