(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol

C15H20O5 — CID 102307668

IUPAC(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H]([C@H](O)CO)O[C@@H](c3ccccc3)[C@H]2O1
InChIInChI=1S/C15H20O5/c1-15(2)19-13-11(9-6-4-3-5-7-9)18-12(10(17)8-16)14(13)20-15/h3-7,10-14,16-17H,8H2,1-2H3/t10-,11+,12+,13-,14+/m1/s1
InChIKeyLYSGJVQHFVYMBY-HTOAHKCRSA-N
MW280.32 g/mol
LogP1.00
Rot. Bonds3

About (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol

(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol (PubChem CID 102307668) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
PubChem CID102307668
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
SMILESCC1(C)O[C@H]2[C@H]([C@H](O)CO)O[C@@H](c3ccccc3)[C@H]2O1
InChIInChI=1S/C15H20O5/c1-15(2)19-13-11(9-6-4-3-5-7-9)18-12(10(17)8-16)14(13)20-15/h3-7,10-14,16-17H,8H2,1-2H3/t10-,11+,12+,13-,14+/m1/s1
InChIKeyLYSGJVQHFVYMBY-HTOAHKCRSA-N
XLogP1.00
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol (CID 102307668) is (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol is CC1(C)O[C@H]2[C@H]([C@H](O)CO)O[C@@H](c3ccccc3)[C@H]2O1.
What is the InChIKey of (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol?
The InChIKey is LYSGJVQHFVYMBY-HTOAHKCRSA-N. The full InChI is InChI=1S/C15H20O5/c1-15(2)19-13-11(9-6-4-3-5-7-9)18-12(10(17)8-16)14(13)20-15/h3-7,10-14,16-17H,8H2,1-2H3/t10-,11+,12+,13-,14+/m1/s1.
What are the key properties of (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol?
(1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol has a molecular weight of 280.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3aS,4S,6S,6aR)-2,2-dimethyl-6-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 102307668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).