(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol

C19H24O3Si — CID 11023951

IUPAC(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol
SMILESC[C@H](O)C[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-14(20)12-18-19(22)17(21)13-23(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17+,18-,19+/m0/s1
InChIKeyKQIVVSTVRASLJE-KLIQENQMSA-N
MW328.48 g/mol
LogP1.13
Rot. Bonds4

About (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol

(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol (PubChem CID 11023951) has the molecular formula C19H24O3Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol
PubChem CID11023951
Molecular FormulaC19H24O3Si
Molecular Weight328.48 g/mol
Exact Mass328.15
IUPAC Name(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol
SMILESC[C@H](O)C[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24O3Si/c1-14(20)12-18-19(22)17(21)13-23(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17+,18-,19+/m0/s1
InChIKeyKQIVVSTVRASLJE-KLIQENQMSA-N
XLogP1.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol?
The IUPAC name of (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol (CID 11023951) is (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol?
The canonical SMILES for (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol is C[C@H](O)C[C@H]1[C@H](O)[C@H](O)C[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol?
The InChIKey is KQIVVSTVRASLJE-KLIQENQMSA-N. The full InChI is InChI=1S/C19H24O3Si/c1-14(20)12-18-19(22)17(21)13-23(18,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,17-22H,12-13H2,1H3/t14-,17+,18-,19+/m0/s1.
What are the key properties of (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol?
(2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol has a molecular weight of 328.48 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[(2S)-2-hydroxypropyl]-1,1-diphenylsilolane-3,4-diol is sourced from PubChem (CID 11023951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).