(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

C8H15O6P — CID 154987852

IUPAC(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
SMILESCC(C)[C@@H]1O[C@@H]2COP(=O)(O)OC2C1O
InChIInChI=1S/C8H15O6P/c1-4(2)7-6(9)8-5(13-7)3-12-15(10,11)14-8/h4-9H,3H2,1-2H3,(H,10,11)/t5-,6?,7+,8?/m1/s1
InChIKeyIJJGXFGAPMEKDM-RRABCLCVSA-N
MW238.18 g/mol
LogP0.29
Rot. Bonds1

About (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol (PubChem CID 154987852) has the molecular formula C8H15O6P and a molecular weight of 238.18 g/mol. Its IUPAC name is (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.

Molecular Properties

Compound Name(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
PubChem CID154987852
Molecular FormulaC8H15O6P
Molecular Weight238.18 g/mol
Exact Mass238.06
IUPAC Name(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
SMILESCC(C)[C@@H]1O[C@@H]2COP(=O)(O)OC2C1O
InChIInChI=1S/C8H15O6P/c1-4(2)7-6(9)8-5(13-7)3-12-15(10,11)14-8/h4-9H,3H2,1-2H3,(H,10,11)/t5-,6?,7+,8?/m1/s1
InChIKeyIJJGXFGAPMEKDM-RRABCLCVSA-N
XLogP0.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol with MolForge

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Related Compounds

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CID 23271411
(1S,6S,8S,9R,10R,11R,16S,18S,19R,20R,21R,26R,28S,29R,30R,31S,36R,38S,39R,40R)-3,13,23,33-tetrahydroxy-3,13,23,33-tetraoxo-8,18,28,38-tetraphenoxy-2,4,7,12,14,17,22,24,27,32,34,37-dodecaoxa-3λ5,13λ5,23λ5,33λ5-tetraphosphapentacyclo[34.4.0.06,11.016,21.026,31]tetracontane-9,10,19,20,29,30,39,40-octol
CID 24939688
(1S,6R,8S,9R,10R,11S,16R,18S,19R,20R,21S,26R,28S,29R,30R,31S,36R,38S,39R,40R)-3,13,23,33-tetrahydroxy-3,13,23,33-tetraoxo-8,18,28,38-tetraphenoxy-2,4,7,12,14,17,22,24,27,32,34,37-dodecaoxa-3λ5,13λ5,23λ5,33λ5-tetraphosphapentacyclo[34.4.0.06,11.016,21.026,31]tetracontane-9,10,19,20,29,30,39,40-octol
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1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-chloropyrimidine-2,4-dione;azane
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9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(2-methylpropanoyl)-1H-purin-6-one
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5-amino-3-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)imidazole-4-carboxamide
CID 171320718
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Frequently Asked Questions

What is the IUPAC name of (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol?
The IUPAC name of (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol (CID 154987852) is (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol.
What is the SMILES notation for (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol?
The canonical SMILES for (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol is CC(C)[C@@H]1O[C@@H]2COP(=O)(O)OC2C1O.
What is the InChIKey of (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol?
The InChIKey is IJJGXFGAPMEKDM-RRABCLCVSA-N. The full InChI is InChI=1S/C8H15O6P/c1-4(2)7-6(9)8-5(13-7)3-12-15(10,11)14-8/h4-9H,3H2,1-2H3,(H,10,11)/t5-,6?,7+,8?/m1/s1.
What are the key properties of (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol?
(4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol has a molecular weight of 238.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S)-2-hydroxy-2-oxo-6-propan-2-yl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol is sourced from PubChem (CID 154987852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).