4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one

C10H16O8 — CID 72569818

IUPAC4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
SMILESO=C1CC(OC2OC(CO)C(O)C(O)C2O)CO1
InChIInChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2
InChIKeyMQEPWBMWFIVRPS-UHFFFAOYSA-N
MW264.23 g/mol
LogP-2.88
Rot. Bonds3

About 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one

4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one (PubChem CID 72569818) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one.

Molecular Properties

Compound Name4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
PubChem CID72569818
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
SMILESO=C1CC(OC2OC(CO)C(O)C(O)C2O)CO1
InChIInChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2
InChIKeyMQEPWBMWFIVRPS-UHFFFAOYSA-N
XLogP-2.88
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-2.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Lactobionic Acid
CID 7314
Palatinose
CID 83686
Kinsenoside
CID 10422896
Lactobionate
CID 40479693
Leucrose
CID 165577
2-O-alpha-mannosyl-D-glycerate
CID 5460194
2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl hexanoate
CID 45271023
Goodyeroside A
CID 10445498
ascaroside C3
CID 44202063
Maltobionic acid
CID 3036723
alpha-D-Glucopyranose, 1,3,4,6-tetraacetate
CID 11089343
3-Ketosucrose
CID 440773

Frequently Asked Questions

What is the IUPAC name of 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The IUPAC name of 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one (CID 72569818) is 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one.
What is the SMILES notation for 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The canonical SMILES for 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one is O=C1CC(OC2OC(CO)C(O)C(O)C2O)CO1.
What is the InChIKey of 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
The InChIKey is MQEPWBMWFIVRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2.
What are the key properties of 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one?
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one has a molecular weight of 264.23 g/mol, XLogP of -2.88, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one is sourced from PubChem (CID 72569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).