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

C26H30O4 — CID 135001270

IUPAC(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol
SMILESC[C@@](O)(COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H30O4/c1-26(27,21-29-18-23-13-7-3-8-14-23)25(30-19-24-15-9-4-10-16-24)20-28-17-22-11-5-2-6-12-22/h2-16,25,27H,17-21H2,1H3/t25-,26+/m0/s1
InChIKeyFMAGEXAXFBUBBG-IZZNHLLZSA-N
MW406.52 g/mol
LogP4.76
Rot. Bonds12

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

(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol (PubChem CID 135001270) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol.

Molecular Properties

Compound Name(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol
PubChem CID135001270
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol
SMILESC[C@@](O)(COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H30O4/c1-26(27,21-29-18-23-13-7-3-8-14-23)25(30-19-24-15-9-4-10-16-24)20-28-17-22-11-5-2-6-12-22/h2-16,25,27H,17-21H2,1H3/t25-,26+/m0/s1
InChIKeyFMAGEXAXFBUBBG-IZZNHLLZSA-N
XLogP4.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.76
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
Ethyl trityl ether
CID 294563
(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-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011255
(2R,3S,4S,5R)-1,6-bis(benzyloxy)-2,5-bis[(3-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011260
(2R,3S,4S,5R)-1,6-bis(benzyloxy)-2,5-bis[(2-fluorophenyl)methoxy]hexane-3,4-diol
CID 3011261
(2R,3S,4S,5R)-1,6-bis(benzyloxy)-2,5-bis[(2,6-difluorophenyl)methoxy]hexane-3,4-diol
CID 3011262

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol?
The IUPAC name of (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol (CID 135001270) is (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol.
What is the SMILES notation for (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol?
The canonical SMILES for (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol is C[C@@](O)(COCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol?
The InChIKey is FMAGEXAXFBUBBG-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H30O4/c1-26(27,21-29-18-23-13-7-3-8-14-23)25(30-19-24-15-9-4-10-16-24)20-28-17-22-11-5-2-6-12-22/h2-16,25,27H,17-21H2,1H3/t25-,26+/m0/s1.
What are the key properties of (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol?
(2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol has a molecular weight of 406.52 g/mol, XLogP of 4.76, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-1,3,4-tris(phenylmethoxy)butan-2-ol is sourced from PubChem (CID 135001270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).