(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol

C13H20O6 — CID 134855787

IUPAC(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC=CC(O)O1
InChIInChI=1S/C13H20O6/c1-13(2)18-11-10(15-3)9(17-12(11)19-13)7-5-4-6-8(14)16-7/h4,6-12,14H,5H2,1-3H3/t7-,8?,9-,10+,11-,12-/m1/s1
InChIKeyXVNULPXSNOVHKJ-YKNYBDKISA-N
MW272.30 g/mol
LogP0.54
Rot. Bonds2

About (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol

(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol (PubChem CID 134855787) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol.

Molecular Properties

Compound Name(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol
PubChem CID134855787
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC=CC(O)O1
InChIInChI=1S/C13H20O6/c1-13(2)18-11-10(15-3)9(17-12(11)19-13)7-5-4-6-8(14)16-7/h4,6-12,14H,5H2,1-3H3/t7-,8?,9-,10+,11-,12-/m1/s1
InChIKeyXVNULPXSNOVHKJ-YKNYBDKISA-N
XLogP0.54
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-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

(2Z)-2-[(3aR,5S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-ylidene]ethanol
CID 10891457
(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2,3-dihydropyran-6-one
CID 11288689
(2R,3S,6S)-2-[2-[(2S,3R,6R)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 12965306
(2S,3S,6R)-2-[2-[(2R,3R,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]ethyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 12965310
(3aR,4aR,7S,8aR,8bR)-2,2-dimethyl-3a,4a,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-b][1]benzofuran-7-ol
CID 13831091
Oxepines
CID 44244962
(3aR,5R,6S,6aR)-5-[(Z)-4-hydroxybut-1-enyl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-ol
CID 71726202
(1R,2R,3R,5R,7R,8R)-3-Ethyl-7-(3-hydroxyprop-1-enyl)-1,2-dimethyl-4,6-dioxabicyclo[3.3.0]octane-2,8-diol
CID 101244428
(Z,5R)-5-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]pent-2-ene-1,5-diol
CID 134855765
[(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-yl] acetate
CID 134973115
(2R)-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]-3,6-dihydro-2H-pyran-6-ol
CID 134973225
(E,1S)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]hex-3-en-1-ol
CID 162397794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol?
The IUPAC name of (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol (CID 134855787) is (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol.
What is the SMILES notation for (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol?
The canonical SMILES for (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC=CC(O)O1.
What is the InChIKey of (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol?
The InChIKey is XVNULPXSNOVHKJ-YKNYBDKISA-N. The full InChI is InChI=1S/C13H20O6/c1-13(2)18-11-10(15-3)9(17-12(11)19-13)7-5-4-6-8(14)16-7/h4,6-12,14H,5H2,1-3H3/t7-,8?,9-,10+,11-,12-/m1/s1.
What are the key properties of (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol?
(2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol has a molecular weight of 272.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,6-dihydro-2H-pyran-6-ol is sourced from PubChem (CID 134855787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).