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86303-22-2 | BIGCHAP
CAS No: 86303-22-2 Catalog No: AG003O6W MDL No:
Product Description
Catalog Number:
AG003O6W
Chemical Name:
BIGCHAP
CAS Number:
86303-22-2
IUPAC Name:
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-[3-[3-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl-[(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]propyl]hexanamide
InChI:
InChI=1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,32+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1
InChI Key:
ZWEVPYNPHSPIFU-AUGHYPCGSA-N
UNII:
7MI8P70R4A
Properties
Complexity:
1380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
19
Defined Bond Stereocenter Count:
0
Exact Mass:
877.515g/mol
Formal Charge:
0
Heavy Atom Count:
61
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
15
Isotope Atom Count:
0
Molecular Weight:
878.067g/mol
Monoisotopic Mass:
877.515g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
342A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
Literature
| Title | Journal |
|---|---|
| Individual dissolution of single-walled carbon nanotubes in aqueous solutions of steroid or sugar compounds and their Raman and near-IR spectral properties. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061010 |
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