(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol

C8H16O7 — CID 90798926

IUPAC(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1CO
InChIInChI=1S/C8H16O7/c1-14-7-3(2-9)15-8(13)6(12)4(10)5(7)11/h3-13H,2H2,1H3/t3-,4+,5+,6-,7+,8-/m0/s1
InChIKeyPWCDXNXPSMRDRB-MZNFZHPNSA-N
MW224.21 g/mol
LogP-3.21
Rot. Bonds2

About (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol

(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol (PubChem CID 90798926) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
PubChem CID90798926
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
SMILESCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1CO
InChIInChI=1S/C8H16O7/c1-14-7-3(2-9)15-8(13)6(12)4(10)5(7)11/h3-13H,2H2,1H3/t3-,4+,5+,6-,7+,8-/m0/s1
InChIKeyPWCDXNXPSMRDRB-MZNFZHPNSA-N
XLogP-3.21
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 91851689
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 156616825
(2R,3R,4S,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 130904111
(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-ol
CID 131205336
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol (CID 90798926) is (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol is CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1CO.
What is the InChIKey of (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol?
The InChIKey is PWCDXNXPSMRDRB-MZNFZHPNSA-N. The full InChI is InChI=1S/C8H16O7/c1-14-7-3(2-9)15-8(13)6(12)4(10)5(7)11/h3-13H,2H2,1H3/t3-,4+,5+,6-,7+,8-/m0/s1.
What are the key properties of (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol?
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol has a molecular weight of 224.21 g/mol, XLogP of -3.21, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol is sourced from PubChem (CID 90798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).