CID 29972853
PubChem CID
29972853
Structure
Molecular Formula
Status
Non-live
Molecular Weight
485.5 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
methyl (2R)-2-[[(2R,4aR,6S,7S,8S,8aR)-7-acetamido-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoate
InChI=1S/C26H31NO8/c1-16(24(29)30-3)33-23-21(27-17(2)28)26(31-14-18-10-6-4-7-11-18)34-20-15-32-25(35-22(20)23)19-12-8-5-9-13-19/h4-13,16,20-23,25-26H,14-15H2,1-3H3,(H,27,28)/t16-,20-,21+,22+,23+,25-,26+/m1/s1
ZDYOCWILIJFUOR-AXDOZWDYSA-N
C[C@H](C(=O)OC)O[C@H]1[C@@H]([C@H](O[C@H]2[C@@H]1O[C@@H](OC2)C3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)C
C26H31NO8
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
485.5 g/mol
Property Name
XLogP3-AA
Property Value
2.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
485.20496695 g/mol
Property Name
Monoisotopic Mass
Property Value
485.20496695 g/mol
Property Name
Topological Polar Surface Area
Property Value
102 A^2
Property Name
Heavy Atom Count
Property Value
35
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
693
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
7
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS