(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol

C19H23O3P — CID 10336740

IUPAC(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
SMILESC=C[C@@H](O)[C@H]([C@H](O)CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-17(20)19(18(21)4-2)23(22,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h3,5-14,17-21H,1,4H2,2H3/t17-,18-,19-/m1/s1
InChIKeyGKJYWUJWIAPQGJ-GUDVDZBRSA-N
MW330.36 g/mol
LogP2.69
Rot. Bonds7

About (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol

(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol (PubChem CID 10336740) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol.

Molecular Properties

Compound Name(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
PubChem CID10336740
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
SMILESC=C[C@@H](O)[C@H]([C@H](O)CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-17(20)19(18(21)4-2)23(22,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h3,5-14,17-21H,1,4H2,2H3/t17-,18-,19-/m1/s1
InChIKeyGKJYWUJWIAPQGJ-GUDVDZBRSA-N
XLogP2.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol?
The IUPAC name of (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol (CID 10336740) is (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol.
What is the SMILES notation for (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol?
The canonical SMILES for (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol is C=C[C@@H](O)[C@H]([C@H](O)CC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol?
The InChIKey is GKJYWUJWIAPQGJ-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H23O3P/c1-3-17(20)19(18(21)4-2)23(22,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h3,5-14,17-21H,1,4H2,2H3/t17-,18-,19-/m1/s1.
What are the key properties of (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol?
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol has a molecular weight of 330.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol is sourced from PubChem (CID 10336740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).