(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one

C11H16O8 — CID 5459107

IUPAC(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H](COC2OC(CO)C(O)C(O)C2O)O1
InChIInChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6?,8?,9?,10?,11?/m0/s1
InChIKeyTYWXNGXVSZRXNA-ANYYLMFCSA-N
MW276.24 g/mol
LogP-2.72
Rot. Bonds4

About (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one

(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one (PubChem CID 5459107) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
PubChem CID5459107
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H](COC2OC(CO)C(O)C(O)C2O)O1
InChIInChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6?,8?,9?,10?,11?/m0/s1
InChIKeyTYWXNGXVSZRXNA-ANYYLMFCSA-N
XLogP-2.72
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-2.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one (CID 5459107) is (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one is O=C1C=C[C@@H](COC2OC(CO)C(O)C(O)C2O)O1.
What is the InChIKey of (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one?
The InChIKey is TYWXNGXVSZRXNA-ANYYLMFCSA-N. The full InChI is InChI=1S/C11H16O8/c12-3-6-8(14)9(15)10(16)11(19-6)17-4-5-1-2-7(13)18-5/h1-2,5-6,8-12,14-16H,3-4H2/t5-,6?,8?,9?,10?,11?/m0/s1.
What are the key properties of (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one?
(2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one has a molecular weight of 276.24 g/mol, XLogP of -2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2H-furan-5-one is sourced from PubChem (CID 5459107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).