200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 76757-85-2
76757-85-2 | N-nitrosoglycocholic acid
CAS No: 76757-85-2 Catalog No: AG00GGG3 MDL No:
Product Description
Catalog Number:
AG00GGG3
Chemical Name:
N-nitrosoglycocholic acid
CAS Number:
76757-85-2
IUPAC Name:
2-[nitroso-[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
InChI:
InChI=1S/C26H42N2O7/c1-14(4-7-22(32)28(27-35)13-23(33)34)17-5-6-18-24-19(12-21(31)26(17,18)3)25(2)9-8-16(29)10-15(25)11-20(24)30/h14-21,24,29-31H,4-13H2,1-3H3,(H,33,34)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1
InChI Key:
IWZAMXSNVROOQA-FRVQLJSFSA-N
UNII:
U57340427Q
Properties
Complexity:
839
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
494.299g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
494.629g/mol
Monoisotopic Mass:
494.299g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.