(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol

C25H28O4 — CID 11014688

IUPAC(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H28O4/c26-16-24(28-18-22-12-6-2-7-13-22)25(29-19-23-14-8-3-9-15-23)20-27-17-21-10-4-1-5-11-21/h1-15,24-26H,16-20H2/t24-,25-/m1/s1
InChIKeyXHEJWDAOOSAMEX-JWQCQUIFSA-N
MW392.50 g/mol
LogP4.37
Rot. Bonds12

About (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol

(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol (PubChem CID 11014688) has the molecular formula C25H28O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol.

Molecular Properties

Compound Name(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol
PubChem CID11014688
Molecular FormulaC25H28O4
Molecular Weight392.50 g/mol
Exact Mass392.20
IUPAC Name(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H28O4/c26-16-24(28-18-22-12-6-2-7-13-22)25(29-19-23-14-8-3-9-15-23)20-27-17-21-10-4-1-5-11-21/h1-15,24-26H,16-20H2/t24-,25-/m1/s1
InChIKeyXHEJWDAOOSAMEX-JWQCQUIFSA-N
XLogP4.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tribenoside
CID 196122
(2R,3S,4S,5R)-1,6-bis(benzyloxy)-2,5-bis[(4-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011257
(2R,3S,4S,5R)-2,5-bis(benzyloxy)-1,6-bis[(2-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011274
(2R,3S,4S,5R)-2,5-dibenzyloxy-1,6-bis[(2,6-difluorophenyl)methoxy]hexane-3,4-diol
CID 3011275
(2R,3S,4S,5R)-1,6-bis[(2,6-difluorophenyl)methoxy]-2,5-bis[(4-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011286
(2R,3S,4S,5R)-1,6-bis[(2-fluorophenyl)methoxy]-2,5-bis[(4-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011287
Howiinol A
CID 6440329
Dibenzylidenesorbitol
CID 10926424
(3-Phenyloxiranyl)methanol
CID 89553
(2R,3S,4S,5R)-1,2,5,6-tetrakis(benzyloxy)hexane-3,4-diol
CID 3011252
(2R,3S,4S,5R)-1,2,5,6-tetrakis[[4-(trifluoromethyl)phenyl]methoxy]hexane-3,4-diol
CID 3011254
(2R,3S,4S,5R)-1,2,5,6-tetrakis[(4-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011255

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol?
The IUPAC name of (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol (CID 11014688) is (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol.
What is the SMILES notation for (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol?
The canonical SMILES for (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol is OC[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol?
The InChIKey is XHEJWDAOOSAMEX-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H28O4/c26-16-24(28-18-22-12-6-2-7-13-22)25(29-19-23-14-8-3-9-15-23)20-27-17-21-10-4-1-5-11-21/h1-15,24-26H,16-20H2/t24-,25-/m1/s1.
What are the key properties of (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol?
(2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol has a molecular weight of 392.50 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,4-tris(phenylmethoxy)butan-1-ol is sourced from PubChem (CID 11014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).