Home Other Building Blocks pregnane-3,17,20-triol-3-glucuronide

pregnane-3,17,20-triol-3-glucuronide

CAS No.:
74915-85-8
Catalog Number:
AG00G53R
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G53R
Chemical Name:
pregnane-3,17,20-triol-3-glucuronide
CAS Number:
74915-85-8
IUPAC Name:
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(8R,9S,10S,13S,14S,17R)-17-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChI:
InChI=1S/C27H44O9/c1-13(28)27(34)11-8-18-16-5-4-14-12-15(6-9-25(14,2)17(16)7-10-26(18,27)3)35-24-21(31)19(29)20(30)22(36-24)23(32)33/h13-22,24,28-31,34H,4-12H2,1-3H3,(H,32,33)/t13?,14?,15?,16-,17+,18+,19+,20+,21-,22+,24?,25+,26+,27+/m1/s1
InChI Key:
DUXHVCKABSGLJH-UZIWTIOOSA-N
Properties
Complexity:
853  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0
Exact Mass:
512.299g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
512.64g/mol
Monoisotopic Mass:
512.299g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties