(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol

C19H26O4Si — CID 134901122

IUPAC(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
SMILESC[Si](C)(c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H26O4Si/c1-24(2,16-11-7-4-8-12-16)19(22)18(21)17(20)14-23-13-15-9-5-3-6-10-15/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-/m1/s1
InChIKeyXMVUTFIVKBZVMY-GUDVDZBRSA-N
MW346.50 g/mol
LogP1.44
Rot. Bonds8

About (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol

(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol (PubChem CID 134901122) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
PubChem CID134901122
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Name(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
SMILESC[Si](C)(c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H26O4Si/c1-24(2,16-11-7-4-8-12-16)19(22)18(21)17(20)14-23-13-15-9-5-3-6-10-15/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-/m1/s1
InChIKeyXMVUTFIVKBZVMY-GUDVDZBRSA-N
XLogP1.44
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
CID 154270817
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-phenylmethoxypentanenitrile
CID 177474808
4-[dimethyl(phenyl)silyl]-1-phenylmethoxybut-3-yn-2-ol
CID 10662769
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol?
The IUPAC name of (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol (CID 134901122) is (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol.
What is the SMILES notation for (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol?
The canonical SMILES for (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol is C[Si](C)(c1ccccc1)[C@@H](O)[C@H](O)[C@H](O)COCc1ccccc1.
What is the InChIKey of (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol?
The InChIKey is XMVUTFIVKBZVMY-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H26O4Si/c1-24(2,16-11-7-4-8-12-16)19(22)18(21)17(20)14-23-13-15-9-5-3-6-10-15/h3-12,17-22H,13-14H2,1-2H3/t17-,18-,19-/m1/s1.
What are the key properties of (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol?
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol has a molecular weight of 346.50 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol is sourced from PubChem (CID 134901122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).