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81026-61-1

81026-61-1 | (2S,3S,4R,5R,6S)-2-(dihydroxymethyl)-6-[[(1S,6R,9S)-9-hydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]non-4-en-2-yl]oxy]oxane-2,3,4,5-tetrol

CAS No: 81026-61-1 Catalog No: AG00503J MDL No:

Product Description

Catalog Number:
AG00503J
Chemical Name:
(2S,3S,4R,5R,6S)-2-(dihydroxymethyl)-6-[[(1S,6R,9S)-9-hydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]non-4-en-2-yl]oxy]oxane-2,3,4,5-tetrol
CAS Number:
81026-61-1
Molecular Formula:
C15H24O11
Molecular Weight:
380.3445
IUPAC Name:
(2S,3S,4R,5R,6S)-6-[[(4aR,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(dihydroxymethyl)oxane-2,3,4,5-tetrol
InChI:
InChI=1S/C15H24O11/c16-5-14(22)3-1-6-2-4-24-11(7(6)14)25-12-9(18)8(17)10(19)15(23,26-12)13(20)21/h2,4,6-13,16-23H,1,3,5H2/t6-,7-,8-,9-,10+,11?,12+,14-,15+/m1/s1
InChI Key:
HRCBFNSQUDOYRQ-YCWFDIDMSA-N
SMILES:
OC[C@]1(O)CC[C@H]2[C@@H]1C(OC=C2)O[C@H]1O[C@](O)(C(O)O)[C@H]([C@@H]([C@H]1O)O)O

Properties

Complexity:
542  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
380.132g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
380.346g/mol
Monoisotopic Mass:
380.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  

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