Home Halogens Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester

Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester

CAS No.:
129298-91-5
Catalog Number:
AG000Z25
Molecular Formula:
C19H28ClNO6
Molecular Weight:
401.8817
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$166
- +
10mg
≥98%
1 week
United States
$265
- +
25mg
≥98%
1 week
United States
$551
- +
Product Description
Catalog Number:
AG000Z25
Chemical Name:
Carbamic acid, N-(2-chloroacetyl)-, (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl ester
CAS Number:
129298-91-5
Molecular Formula:
C19H28ClNO6
Molecular Weight:
401.8817
MDL Number:
MFCD00870281
IUPAC Name:
[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-(2-chloroacetyl)carbamate
InChI:
InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
InChI Key:
MSHZHSPISPJWHW-PVDLLORBSA-N
SMILES:
CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)NC(=O)CCl
UNII:
X47GR46481
NSC Number:
642492
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
401.161g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
401.884g/mol
Monoisotopic Mass:
401.161g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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Properties