200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125016-14-0
125016-14-0 | Carbamic acid, [(1S)-2-cyclohexyl-1-[(2S,4R)-tetrahydro-4-(1-hydroxy-1-methylethyl)-5-oxo-2-furanyl]ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 125016-14-0 Catalog No: AG000MZL MDL No:MFCD03844650
Product Description
Catalog Number:
AG000MZL
Chemical Name:
Carbamic acid, [(1S)-2-cyclohexyl-1-[(2S,4R)-tetrahydro-4-(1-hydroxy-1-methylethyl)-5-oxo-2-furanyl]ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
125016-14-0
Molecular Formula:
C20H35NO5
Molecular Weight:
369.4956
MDL Number:
MFCD03844650
IUPAC Name:
tert-butyl N-[2-cyclohexyl-1-[4-(2-hydroxypropan-2-yl)-5-oxooxolan-2-yl]ethyl]carbamate
InChI:
InChI=1S/C20H35NO5/c1-19(2,3)26-18(23)21-15(11-13-9-7-6-8-10-13)16-12-14(17(22)25-16)20(4,5)24/h13-16,24H,6-12H2,1-5H3,(H,21,23)
InChI Key:
ONTNQSPOVPJIPN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@H]1OC(=O)[C@H](C1)C(O)(C)C)CC1CCCCC1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.252g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.502g/mol
Monoisotopic Mass:
369.252g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.