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115250-39-0 | D-epi-Inositol, 3,4-dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-[(phenylmethoxy)methyl]-1,5,6-tris-O-(phenylmethyl)-
CAS No: 115250-39-0 Catalog No: AG000GI8 MDL No:MFCD11045044
Product Description
Catalog Number:
AG000GI8
Chemical Name:
D-epi-Inositol, 3,4-dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-[(phenylmethoxy)methyl]-1,5,6-tris-O-(phenylmethyl)-
CAS Number:
115250-39-0
MDL Number:
MFCD11045044
IUPAC Name:
2-[[(1S,2S,3R,4S,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]amino]propane-1,3-diol
InChI:
InChI=1S/C38H45NO7/c40-22-33(23-41)39-34-21-38(42,28-43-24-29-13-5-1-6-14-29)37(46-27-32-19-11-4-12-20-32)36(45-26-31-17-9-3-10-18-31)35(34)44-25-30-15-7-2-8-16-30/h1-20,33-37,39-42H,21-28H2/t34-,35-,36+,37-,38-/m0/s1
InChI Key:
DYSHUNINHUTCLX-ILOBPARPSA-N
Properties
Complexity:
805
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
627.32g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
627.778g/mol
Monoisotopic Mass:
627.32g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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