(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one

C6H10O5 — CID 14462101

IUPAC(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one
SMILESCO[C@H]1OCC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(7)2-11-6/h4-6,8-9H,2H2,1H3/t4-,5+,6-/m0/s1
InChIKeyJLAHNRKCXDYSNG-JKUQZMGJSA-N
MW162.14 g/mol
LogP-1.72
Rot. Bonds1

About (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one

(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one (PubChem CID 14462101) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one.

Molecular Properties

Compound Name(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one
PubChem CID14462101
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one
SMILESCO[C@H]1OCC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(7)2-11-6/h4-6,8-9H,2H2,1H3/t4-,5+,6-/m0/s1
InChIKeyJLAHNRKCXDYSNG-JKUQZMGJSA-N
XLogP-1.72
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one?
The IUPAC name of (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one (CID 14462101) is (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one.
What is the SMILES notation for (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one?
The canonical SMILES for (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one is CO[C@H]1OCC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one?
The InChIKey is JLAHNRKCXDYSNG-JKUQZMGJSA-N. The full InChI is InChI=1S/C6H10O5/c1-10-6-5(9)4(8)3(7)2-11-6/h4-6,8-9H,2H2,1H3/t4-,5+,6-/m0/s1.
What are the key properties of (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one?
(4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one has a molecular weight of 162.14 g/mol, XLogP of -1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4,5-dihydroxy-6-methoxyoxan-3-one is sourced from PubChem (CID 14462101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).