(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol

C23H25O4PS — CID 10342529

IUPAC(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol
SMILESC[C@](O)(CP(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CSc1ccc(O)cc1
InChIInChI=1S/C23H25O4PS/c1-23(26,22(25)16-29-21-14-12-18(24)13-15-21)17-28(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24-26H,16-17H2,1H3/t22-,23-/m0/s1
InChIKeySGQYCYMTFARSIK-GOTSBHOMSA-N
MW428.49 g/mol
LogP3.61
Rot. Bonds8

About (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol

(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol (PubChem CID 10342529) has the molecular formula C23H25O4PS and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol
PubChem CID10342529
Molecular FormulaC23H25O4PS
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol
SMILESC[C@](O)(CP(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CSc1ccc(O)cc1
InChIInChI=1S/C23H25O4PS/c1-23(26,22(25)16-29-21-14-12-18(24)13-15-21)17-28(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24-26H,16-17H2,1H3/t22-,23-/m0/s1
InChIKeySGQYCYMTFARSIK-GOTSBHOMSA-N
XLogP3.61
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol?
The IUPAC name of (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol (CID 10342529) is (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol.
What is the SMILES notation for (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol?
The canonical SMILES for (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol is C[C@](O)(CP(=O)(c1ccccc1)c1ccccc1)[C@@H](O)CSc1ccc(O)cc1.
What is the InChIKey of (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol?
The InChIKey is SGQYCYMTFARSIK-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H25O4PS/c1-23(26,22(25)16-29-21-14-12-18(24)13-15-21)17-28(27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22,24-26H,16-17H2,1H3/t22-,23-/m0/s1.
What are the key properties of (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol?
(2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol has a molecular weight of 428.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-diphenylphosphoryl-4-(4-hydroxyphenyl)sulfanyl-2-methylbutane-2,3-diol is sourced from PubChem (CID 10342529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).