(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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Related Compounds

(3S,6S)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 14309521
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 132567869
(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101438231
[(3S,6S)-6-butyl-3,6-dihydro-2H-pyran-3-yl] N-hydroxycarbamate
CID 25139109
4-(dimethoxyphosphorylmethyl)cyclohexan-1-ol
CID 155378638
methyl 2-[(3R,6R)-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]-3-oxobutanoate
CID 10965868
methyl (1S,3S,4R,5R)-3-(2-dimethoxyphosphorylethyl)-1,4,5-trihydroxycyclohexane-1-carboxylate
CID 10314275
2-[[butyl(oxiran-2-ylmethoxy)phosphoryl]oxymethyl]oxirane
CID 21251791
3-(dimethoxyphosphorylmethyl)cyclopentan-1-ol
CID 134856849
3-dimethoxyphosphorylpropyl-difluoro-methyl-λ4-sulfane
CID 170264565
trans-(2R,3R)-2-(7-dimethoxyphosphorylheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 22808740
(3R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-pyran-3-ol
CID 101098885

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).