(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol

C14H27O6P — CID 57123130

IUPAC(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
SMILESCCOP(=O)(C=C[C@H](CCO)O[C@@H]1CCCCO1)OCC
InChIInChI=1S/C14H27O6P/c1-3-18-21(16,19-4-2)12-9-13(8-10-15)20-14-7-5-6-11-17-14/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyZPCHLGRNOXXEBZ-UONOGXRCSA-N
MW322.34 g/mol
LogP3.06
Rot. Bonds10

About (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol

(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol (PubChem CID 57123130) has the molecular formula C14H27O6P and a molecular weight of 322.34 g/mol. Its IUPAC name is (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol.

Molecular Properties

Compound Name(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
PubChem CID57123130
Molecular FormulaC14H27O6P
Molecular Weight322.34 g/mol
Exact Mass322.15
IUPAC Name(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
SMILESCCOP(=O)(C=C[C@H](CCO)O[C@@H]1CCCCO1)OCC
InChIInChI=1S/C14H27O6P/c1-3-18-21(16,19-4-2)12-9-13(8-10-15)20-14-7-5-6-11-17-14/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+/m0/s1
InChIKeyZPCHLGRNOXXEBZ-UONOGXRCSA-N
XLogP3.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S)-4-diethoxyphosphoryl-2-(iodomethyl)but-3-enoxy]oxane
CID 57074889
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(3S)-3-(oxan-2-yloxy)hexan-1-ol
CID 67829431
2-[9-[(2R)-4-diethoxyphosphoryl-2-[(2S)-oxan-2-yl]oxybut-3-enoxy]purin-6-yl]isoindole-1,3-dione
CID 173363385
2-(1-diethoxyphosphorylbut-3-enoxy)oxane
CID 11335314
2-[(E,4R)-dodec-2-en-4-yl]oxyoxane
CID 102392946
(5S)-7-hydroxy-4,4-dimethyl-5-(oxan-2-yloxy)heptan-3-one
CID 57239627
(E)-8-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-(oxan-2-yloxy)oct-7-en-1-ol
CID 10664061
(3S)-4-chloro-3-(oxan-2-yloxy)butan-1-ol
CID 122365358
2-hept-1-en-3-yloxyoxane
CID 20796050
1-[4-diethoxyphosphoryl-2-(oxan-2-yloxymethyl)but-3-enoxy]-5-methylpyrimidine-2,4-dione
CID 54387676
2-oct-1-en-3-yloxyoxane
CID 10727282

Frequently Asked Questions

What is the IUPAC name of (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol?
The IUPAC name of (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol (CID 57123130) is (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol.
What is the SMILES notation for (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol?
The canonical SMILES for (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol is CCOP(=O)(C=C[C@H](CCO)O[C@@H]1CCCCO1)OCC.
What is the InChIKey of (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol?
The InChIKey is ZPCHLGRNOXXEBZ-UONOGXRCSA-N. The full InChI is InChI=1S/C14H27O6P/c1-3-18-21(16,19-4-2)12-9-13(8-10-15)20-14-7-5-6-11-17-14/h9,12-15H,3-8,10-11H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol?
(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol has a molecular weight of 322.34 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol is sourced from PubChem (CID 57123130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).