(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol

C6H11O6P — CID 163598695

IUPAC(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol
SMILESO=P1(O)OC2COCC(O)C[C@H]2O1
InChIInChI=1S/C6H11O6P/c7-4-1-5-6(3-10-2-4)12-13(8,9)11-5/h4-7H,1-3H2,(H,8,9)/t4?,5-,6?/m1/s1
InChIKeyGTJSOGXAVQNHDH-INWUZDNDSA-N
MW210.12 g/mol
LogP-0.35
Rot. Bonds

About (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol

(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol (PubChem CID 163598695) has the molecular formula C6H11O6P and a molecular weight of 210.12 g/mol. Its IUPAC name is (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol.

Molecular Properties

Compound Name(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol
PubChem CID163598695
Molecular FormulaC6H11O6P
Molecular Weight210.12 g/mol
Exact Mass210.03
IUPAC Name(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol
SMILESO=P1(O)OC2COCC(O)C[C@H]2O1
InChIInChI=1S/C6H11O6P/c7-4-1-5-6(3-10-2-4)12-13(8,9)11-5/h4-7H,1-3H2,(H,8,9)/t4?,5-,6?/m1/s1
InChIKeyGTJSOGXAVQNHDH-INWUZDNDSA-N
XLogP-0.35
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol 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

(3S,5S)-5-hydroxyoxane-3-carboxylic acid
CID 68653500
(3R,5R)-5-hydroxyoxane-3-carboxylic acid
CID 68653499
3-methyloxetane;oxetan-3-ol
CID 159981362
3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol
CID 158327815
(1R,3R,5S,7R,8R,9R)-11-hydroxy-5-methyl-11-oxo-2,4,6,10,12-pentaoxa-11λ5-phosphatricyclo[7.4.0.03,7]tridecan-8-ol
CID 23271411
ethane;oxepane-3,5-diol
CID 176685419
bis(oxetan-3-yl)methanone
CID 151302953
4,5-dicyclohexyl-2-hydroxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 58900627
2,6-dihydroxy-3,5,7a,8,9,10,11,11a-octahydrobenzo[h][1,4,7,2,6]trioxadiphosphonine 2,6-dioxide
CID 159109458
9-amino-3-oxabicyclo[3.3.1]nonan-7-ol
CID 115012270
1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 45055443
(4S)-oxolane-2,4-diol
CID 16655459

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol?
The IUPAC name of (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol (CID 163598695) is (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol.
What is the SMILES notation for (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol?
The canonical SMILES for (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol is O=P1(O)OC2COCC(O)C[C@H]2O1.
What is the InChIKey of (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol?
The InChIKey is GTJSOGXAVQNHDH-INWUZDNDSA-N. The full InChI is InChI=1S/C6H11O6P/c7-4-1-5-6(3-10-2-4)12-13(8,9)11-5/h4-7H,1-3H2,(H,8,9)/t4?,5-,6?/m1/s1.
What are the key properties of (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol?
(8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol has a molecular weight of 210.12 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-hydroxy-2-oxo-3a,4,6,7,8,8a-hexahydro-[1,3,2]dioxaphospholo[4,5-c]oxepin-7-ol is sourced from PubChem (CID 163598695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).