(4,5-dihydroxy-6-methoxyoxan-2-yl) formate

C7H12O6 — CID 89225737

IUPAC(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
SMILESCOC1OC(OC=O)CC(O)C1O
InChIInChI=1S/C7H12O6/c1-11-7-6(10)4(9)2-5(13-7)12-3-8/h3-7,9-10H,2H2,1H3
InChIKeyVVPXVKNKCMHBBH-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.40
Rot. Bonds3

About (4,5-dihydroxy-6-methoxyoxan-2-yl) formate

(4,5-dihydroxy-6-methoxyoxan-2-yl) formate (PubChem CID 89225737) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (4,5-dihydroxy-6-methoxyoxan-2-yl) formate.

Molecular Properties

Compound Name(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
PubChem CID89225737
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
SMILESCOC1OC(OC=O)CC(O)C1O
InChIInChI=1S/C7H12O6/c1-11-7-6(10)4(9)2-5(13-7)12-3-8/h3-7,9-10H,2H2,1H3
InChIKeyVVPXVKNKCMHBBH-UHFFFAOYSA-N
XLogP-1.40
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydroxy-6-methoxyoxane-2-carboxylic acid
CID 118519228
(4,5,6-trihydroxy-3-methoxyoxan-2-yl) formate
CID 58513034
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
CID 142004285
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2S,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylic acid
CID 130754854
(3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
CID 16744772
[(3S)-6-[(3S,5S)-5-acetamido-2-formyloxy-3-hydroxy-6-methoxyoxan-4-yl]oxy-4-hydroxy-3-methoxyoxan-2-yl]oxymethanolate
CID 140605686
4-amino-5-hydroxy-6-methoxyoxane-2-carboxylic acid
CID 14139997

Frequently Asked Questions

What is the IUPAC name of (4,5-dihydroxy-6-methoxyoxan-2-yl) formate?
The IUPAC name of (4,5-dihydroxy-6-methoxyoxan-2-yl) formate (CID 89225737) is (4,5-dihydroxy-6-methoxyoxan-2-yl) formate.
What is the SMILES notation for (4,5-dihydroxy-6-methoxyoxan-2-yl) formate?
The canonical SMILES for (4,5-dihydroxy-6-methoxyoxan-2-yl) formate is COC1OC(OC=O)CC(O)C1O.
What is the InChIKey of (4,5-dihydroxy-6-methoxyoxan-2-yl) formate?
The InChIKey is VVPXVKNKCMHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-11-7-6(10)4(9)2-5(13-7)12-3-8/h3-7,9-10H,2H2,1H3.
What are the key properties of (4,5-dihydroxy-6-methoxyoxan-2-yl) formate?
(4,5-dihydroxy-6-methoxyoxan-2-yl) formate has a molecular weight of 192.17 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dihydroxy-6-methoxyoxan-2-yl) formate is sourced from PubChem (CID 89225737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).