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131897-00-2 | D-Ribitol, 1,3,4-tris-O-(phenylmethyl)-
CAS No: 131897-00-2 Catalog No: AG000ZV6 MDL No:MFCD23704945
Product Description
Catalog Number:
AG000ZV6
Chemical Name:
D-Ribitol, 1,3,4-tris-O-(phenylmethyl)-
CAS Number:
131897-00-2
Molecular Formula:
C26H30O5
Molecular Weight:
422.5134
MDL Number:
MFCD23704945
IUPAC Name:
(2R,3S,4S)-2,3,5-tris(phenylmethoxy)pentane-1,4-diol
InChI:
InChI=1S/C26H30O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-15,24-28H,16-20H2/t24-,25+,26-/m0/s1
InChI Key:
NJEJAQAZBITKET-NXCFDTQHSA-N
SMILES:
OC[C@H]([C@H]([C@H](COCc1ccccc1)O)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
422.209g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.521g/mol
Monoisotopic Mass:
422.209g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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