(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol

C10H19O5P — CID 155378700

IUPAC(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCOP(=O)(CCC[C@H]1C=C[C@H](O)CO1)OC
InChIInChI=1S/C10H19O5P/c1-13-16(12,14-2)7-3-4-10-6-5-9(11)8-15-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyLGGTYPGBBZVUEG-UWVGGRQHSA-N
MW250.23 g/mol
LogP1.57
Rot. Bonds6

About (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol

(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 155378700) has the molecular formula C10H19O5P and a molecular weight of 250.23 g/mol. Its IUPAC name is (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID155378700
Molecular FormulaC10H19O5P
Molecular Weight250.23 g/mol
Exact Mass250.10
IUPAC Name(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCOP(=O)(CCC[C@H]1C=C[C@H](O)CO1)OC
InChIInChI=1S/C10H19O5P/c1-13-16(12,14-2)7-3-4-10-6-5-9(11)8-15-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyLGGTYPGBBZVUEG-UWVGGRQHSA-N
XLogP1.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol (CID 155378700) is (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol is COP(=O)(CCC[C@H]1C=C[C@H](O)CO1)OC.
What is the InChIKey of (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is LGGTYPGBBZVUEG-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19O5P/c1-13-16(12,14-2)7-3-4-10-6-5-9(11)8-15-10/h5-6,9-11H,3-4,7-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol?
(3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 250.23 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-(3-dimethoxyphosphorylpropyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 155378700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).