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

C10H16O6 — CID 139072745

IUPAC(3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one
SMILESCC1(C)OC[C@H]([C@H]2OC(=O)[C@@H](O)[C@@]2(C)O)O1
InChIInChI=1S/C10H16O6/c1-9(2)14-4-5(16-9)7-10(3,13)6(11)8(12)15-7/h5-7,11,13H,4H2,1-3H3/t5-,6-,7-,10-/m1/s1
InChIKeyUDBJAMJXGUTFDB-DAGMQNCNSA-N
MW232.23 g/mol
LogP-0.82
Rot. Bonds1

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

(3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one (PubChem CID 139072745) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one
PubChem CID139072745
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one
SMILESCC1(C)OC[C@H]([C@H]2OC(=O)[C@@H](O)[C@@]2(C)O)O1
InChIInChI=1S/C10H16O6/c1-9(2)14-4-5(16-9)7-10(3,13)6(11)8(12)15-7/h5-7,11,13H,4H2,1-3H3/t5-,6-,7-,10-/m1/s1
InChIKeyUDBJAMJXGUTFDB-DAGMQNCNSA-N
XLogP-0.82
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one (CID 139072745) is (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one is CC1(C)OC[C@H]([C@H]2OC(=O)[C@@H](O)[C@@]2(C)O)O1.
What is the InChIKey of (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one?
The InChIKey is UDBJAMJXGUTFDB-DAGMQNCNSA-N. The full InChI is InChI=1S/C10H16O6/c1-9(2)14-4-5(16-9)7-10(3,13)6(11)8(12)15-7/h5-7,11,13H,4H2,1-3H3/t5-,6-,7-,10-/m1/s1.
What are the key properties of (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one?
(3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one has a molecular weight of 232.23 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-4-methyloxolan-2-one is sourced from PubChem (CID 139072745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).