deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one

C19H31O7P — CID 162074318

IUPACdeuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@H]2C[C@@H]1CCC2OC1CCCCO1.O=C1O[C@H]2C[C@@H]1CC[C@@H]2O.[2H]P
InChIInChI=1S/C12H18O4.C7H10O3.H3P/c13-12-8-4-5-9(10(7-8)16-12)15-11-3-1-2-6-14-11;8-5-2-1-4-3-6(5)10-7(4)9;/h8-11H,1-7H2;4-6,8H,1-3H2;1H3/t8-,9?,10-,11?;4-,5-,6-;/m00./s1/i;;1D
InChIKeyZBMSYCPSDXAAJA-YFCSULQASA-N
MW403.43 g/mol
LogP1.75
Rot. Bonds2

About deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one

deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one (PubChem CID 162074318) has the molecular formula C19H31O7P and a molecular weight of 403.43 g/mol. Its IUPAC name is deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Namedeuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one
PubChem CID162074318
Molecular FormulaC19H31O7P
Molecular Weight403.43 g/mol
Exact Mass403.19
IUPAC Namedeuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one
SMILESO=C1O[C@H]2C[C@@H]1CCC2OC1CCCCO1.O=C1O[C@H]2C[C@@H]1CC[C@@H]2O.[2H]P
InChIInChI=1S/C12H18O4.C7H10O3.H3P/c13-12-8-4-5-9(10(7-8)16-12)15-11-3-1-2-6-14-11;8-5-2-1-4-3-6(5)10-7(4)9;/h8-11H,1-7H2;4-6,8H,1-3H2;1H3/t8-,9?,10-,11?;4-,5-,6-;/m00./s1/i;;1D
InChIKeyZBMSYCPSDXAAJA-YFCSULQASA-N
XLogP1.75
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(oxan-2-yloxy)cyclopentan-1-ol
CID 86732994
(3aR,5R,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 73357579
(3aR,6aS)-4-(hydroxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67875628
trans-(1R,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 124784404
cis-(1S,2R)-2-[(2S)-oxan-2-yl]oxycyclopropan-1-amine
CID 86316698
(3S,3aS,6R,6aS)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 59018729
3-(oxan-2-yloxy)cyclobutan-1-ol
CID 155584587
(4R)-4-iodo-6-oxabicyclo[3.2.1]octan-7-one
CID 70376083
[(1S,2S)-2-[(2R)-oxan-2-yl]oxycyclopentyl]methanol
CID 98113125
trans-(1R,3R)-2-imino-5-(oxan-2-yloxy)cyclohexane-1,3-diol
CID 89143909
(1S,4S)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 10986966
(1R)-4-(oxan-2-yloxy)cyclopent-2-en-1-ol
CID 67582967

Frequently Asked Questions

What is the IUPAC name of deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one?
The IUPAC name of deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one (CID 162074318) is deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one is O=C1O[C@H]2C[C@@H]1CCC2OC1CCCCO1.O=C1O[C@H]2C[C@@H]1CC[C@@H]2O.[2H]P.
What is the InChIKey of deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one?
The InChIKey is ZBMSYCPSDXAAJA-YFCSULQASA-N. The full InChI is InChI=1S/C12H18O4.C7H10O3.H3P/c13-12-8-4-5-9(10(7-8)16-12)15-11-3-1-2-6-14-11;8-5-2-1-4-3-6(5)10-7(4)9;/h8-11H,1-7H2;4-6,8H,1-3H2;1H3/t8-,9?,10-,11?;4-,5-,6-;/m00./s1/i;;1D.
What are the key properties of deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one?
deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one has a molecular weight of 403.43 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriophosphane;(1S,4S,5S)-4-hydroxy-6-oxabicyclo[3.2.1]octan-7-one;(1S,5S)-4-(oxan-2-yloxy)-6-oxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 162074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).