(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one

C10H16O7 — CID 162656765

IUPAC(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one
SMILESC[C@@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O7/c1-4-7(12)8(13)9(14)10(16-4)17-5-2-6(11)15-3-5/h4-5,7-10,12-14H,2-3H2,1H3/t4-,5+,7-,8+,9+,10-/m0/s1
InChIKeyRHIHBFHPSXETFI-ZVMXLZMCSA-N
MW248.23 g/mol
LogP-1.85
Rot. Bonds2

About (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one

(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one (PubChem CID 162656765) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one
PubChem CID162656765
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one
SMILESC[C@@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O7/c1-4-7(12)8(13)9(14)10(16-4)17-5-2-6(11)15-3-5/h4-5,7-10,12-14H,2-3H2,1H3/t4-,5+,7-,8+,9+,10-/m0/s1
InChIKeyRHIHBFHPSXETFI-ZVMXLZMCSA-N
XLogP-1.85
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one?
The IUPAC name of (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one (CID 162656765) is (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one.
What is the SMILES notation for (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one?
The canonical SMILES for (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one is C[C@@H]1O[C@@H](O[C@H]2COC(=O)C2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one?
The InChIKey is RHIHBFHPSXETFI-ZVMXLZMCSA-N. The full InChI is InChI=1S/C10H16O7/c1-4-7(12)8(13)9(14)10(16-4)17-5-2-6(11)15-3-5/h4-5,7-10,12-14H,2-3H2,1H3/t4-,5+,7-,8+,9+,10-/m0/s1.
What are the key properties of (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one?
(4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one has a molecular weight of 248.23 g/mol, XLogP of -1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxolan-2-one is sourced from PubChem (CID 162656765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).