(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one

C11H18O6 — CID 10083252

IUPAC(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
SMILESC[C@@H]1[C@@H](O)[C@H](O)C(=O)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O6/c1-5-7(12)8(13)10(14)16-9(5)6-4-15-11(2,3)17-6/h5-9,12-13H,4H2,1-3H3/t5-,6-,7-,8+,9-/m1/s1
InChIKeyVXTHCDMOAQHLBA-GOFVFXDOSA-N
MW246.26 g/mol
LogP-0.58
Rot. Bonds1

About (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one (PubChem CID 10083252) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one.

Molecular Properties

Compound Name(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
PubChem CID10083252
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
SMILESC[C@@H]1[C@@H](O)[C@H](O)C(=O)O[C@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H18O6/c1-5-7(12)8(13)10(14)16-9(5)6-4-15-11(2,3)17-6/h5-9,12-13H,4H2,1-3H3/t5-,6-,7-,8+,9-/m1/s1
InChIKeyVXTHCDMOAQHLBA-GOFVFXDOSA-N
XLogP-0.58
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one?
The IUPAC name of (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one (CID 10083252) is (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one.
What is the SMILES notation for (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one?
The canonical SMILES for (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one is C[C@@H]1[C@@H](O)[C@H](O)C(=O)O[C@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one?
The InChIKey is VXTHCDMOAQHLBA-GOFVFXDOSA-N. The full InChI is InChI=1S/C11H18O6/c1-5-7(12)8(13)10(14)16-9(5)6-4-15-11(2,3)17-6/h5-9,12-13H,4H2,1-3H3/t5-,6-,7-,8+,9-/m1/s1.
What are the key properties of (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one?
(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one has a molecular weight of 246.26 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one is sourced from PubChem (CID 10083252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).