(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol

C24H32O4 — CID 11111788

IUPAC(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
SMILESC[C@@H](COCc1ccccc1)[C@@H]1O[C@@H]1C[C@H](O)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C24H32O4/c1-18(14-26-16-20-9-5-3-6-10-20)22(25)13-23-24(28-23)19(2)15-27-17-21-11-7-4-8-12-21/h3-12,18-19,22-25H,13-17H2,1-2H3/t18-,19-,22-,23+,24-/m0/s1
InChIKeyJSLDXVWSXUHLIY-KKXZWXNMSA-N
MW384.52 g/mol
LogP4.21
Rot. Bonds12

About (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol

(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol (PubChem CID 11111788) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
PubChem CID11111788
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol
SMILESC[C@@H](COCc1ccccc1)[C@@H]1O[C@@H]1C[C@H](O)[C@@H](C)COCc1ccccc1
InChIInChI=1S/C24H32O4/c1-18(14-26-16-20-9-5-3-6-10-20)22(25)13-23-24(28-23)19(2)15-27-17-21-11-7-4-8-12-21/h3-12,18-19,22-25H,13-17H2,1-2H3/t18-,19-,22-,23+,24-/m0/s1
InChIKeyJSLDXVWSXUHLIY-KKXZWXNMSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]pentan-2-ol
CID 11811094
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
bis[(2R,3R)-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 102597561
(2S,3R)-3,5-dimethyl-2-[(2R)-1-phenylmethoxypropan-2-yl]-3,6-dihydro-2H-pyran-6-ol
CID 11807969
(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
CID 66827710
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
4-methyl-2-methylidene-5-phenylmethoxypentane-1,3-diol
CID 10513984
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol?
The IUPAC name of (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol (CID 11111788) is (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol.
What is the SMILES notation for (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol?
The canonical SMILES for (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol is C[C@@H](COCc1ccccc1)[C@@H]1O[C@@H]1C[C@H](O)[C@@H](C)COCc1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol?
The InChIKey is JSLDXVWSXUHLIY-KKXZWXNMSA-N. The full InChI is InChI=1S/C24H32O4/c1-18(14-26-16-20-9-5-3-6-10-20)22(25)13-23-24(28-23)19(2)15-27-17-21-11-7-4-8-12-21/h3-12,18-19,22-25H,13-17H2,1-2H3/t18-,19-,22-,23+,24-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol?
(2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol has a molecular weight of 384.52 g/mol, XLogP of 4.21, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-4-phenylmethoxy-1-[(2R,3S)-3-[(2S)-1-phenylmethoxypropan-2-yl]oxiran-2-yl]butan-2-ol is sourced from PubChem (CID 11111788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).