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7241-97-6

7241-97-6 | BENZYL N-[2-[1-HYDROXY-2-(2-METHOXY-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO[3.3.0]OCT-4-YL)-2-NITRO-ETHYL]-4-METHOXY-8,8-DIMETHYL-3,7,9-TRIOXABICYCLO[4.3.0]NON-5-YL]CARBAMATE

CAS No: 7241-97-6 Catalog No: AG005HL4 MDL No:

Product Description

Catalog Number:
AG005HL4
Chemical Name:
BENZYL N-[2-[1-HYDROXY-2-(2-METHOXY-7,7-DIMETHYL-3,6,8-TRIOXABICYCLO[3.3.0]OCT-4-YL)-2-NITRO-ETHYL]-4-METHOXY-8,8-DIMETHYL-3,7,9-TRIOXABICYCLO[4.3.0]NON-5-YL]CARBAMATE
CAS Number:
7241-97-6
Molecular Formula:
C27H38N2O13
Molecular Weight:
598.5962
IUPAC Name:
benzyl N-[4-[1-hydroxy-2-(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)-2-nitroethyl]-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]carbamate
InChI:
InChI=1S/C27H38N2O13/c1-26(2)39-17-14(28-25(31)36-12-13-10-8-7-9-11-13)23(34-5)38-19(20(17)40-26)16(30)15(29(32)33)18-21-22(24(35-6)37-18)42-27(3,4)41-21/h7-11,14-24,30H,12H2,1-6H3,(H,28,31)
InChI Key:
ZUWYRALVUUTGTK-UHFFFAOYSA-N
SMILES:
COC1OC(C2C(C1NC(=O)OCc1ccccc1)OC(O2)(C)C)C(C(C1OC(C2C1OC(O2)(C)C)OC)[N+](=O)[O-])O

Properties

Complexity:
970  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.237g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
598.602g/mol
Monoisotopic Mass:
598.237g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
11  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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