Home Other Building Blocks [(1aS,1bα,5aα,6aβ)-1a,1b,2,5a,6,6a-Hexahydro-6α-hydroxy-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]6-O-α-D-galactopyranosyl-β-D-glucopyranoside

[(1aS,1bα,5aα,6aβ)-1a,1b,2,5a,6,6a-Hexahydro-6α-hydroxy-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]6-O-α-D-galactopyranosyl-β-D-glucopyranoside

CAS No.:
81720-05-0
Catalog Number:
AG00G3AA
Molecular Formula:
C21H32O15
Molecular Weight:
524.4698
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Product Description
Catalog Number:
AG00G3AA
Chemical Name:
[(1aS,1bα,5aα,6aβ)-1a,1b,2,5a,6,6a-Hexahydro-6α-hydroxy-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]6-O-α-D-galactopyranosyl-β-D-glucopyranoside
CAS Number:
81720-05-0
Molecular Formula:
C21H32O15
Molecular Weight:
524.4698
MDL Number:
MFCD13195577
IUPAC Name:
2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
InChI:
InChI=1S/C21H32O15/c22-3-7-11(25)13(27)15(29)19(33-7)32-4-8-12(26)14(28)16(30)20(34-8)35-18-9-6(1-2-31-18)10(24)17-21(9,5-23)36-17/h1-2,6-20,22-30H,3-5H2
InChI Key:
DTNSOISBYQKHCS-UHFFFAOYSA-N
SMILES:
OCC1OC(OCC2OC(OC3OC=CC4C3C3(CO)OC3C4O)C(C(C2O)O)O)C(C(C1O)O)O
Properties
Complexity:
814  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.174g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
524.472g/mol
Monoisotopic Mass:
524.174g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
241A^2
Undefined Atom Stereocenter Count:
16  
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4  
Properties