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23257-46-7 | D-Glucitol, 1-deoxy-1-(methylamino)-, (17β)-(±)-2,3,4-trimethoxyestra-1,3,5(10),8-tetraen-17-yl sulfate (salt) (9CI)
CAS No: 23257-46-7 Catalog No: AG002MOV MDL No:
Product Description
Catalog Number:
AG002MOV
Chemical Name:
D-Glucitol, 1-deoxy-1-(methylamino)-, (17β)-(±)-2,3,4-trimethoxyestra-1,3,5(10),8-tetraen-17-yl sulfate (salt) (9CI)
CAS Number:
23257-46-7
IUPAC Name:
sodium;(2,3,4-trimethoxy-13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl) sulfate
InChI:
InChI=1S/C21H28O7S.Na/c1-21-10-9-12-13(16(21)7-8-18(21)28-29(22,23)24)5-6-14-15(12)11-17(25-2)20(27-4)19(14)26-3;/h11,16,18H,5-10H2,1-4H3,(H,22,23,24);/q;+1/p-1
InChI Key:
XSXZXMBCJCZSKF-UHFFFAOYSA-M
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.49g/mol
Monoisotopic Mass:
446.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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