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

C7H14O7 — CID 175505706

IUPAC(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
SMILESCO[C@@]1(O)[C@@H](O)C(O)O[C@H](CO)[C@@H]1O
InChIInChI=1S/C7H14O7/c1-13-7(12)4(9)3(2-8)14-6(11)5(7)10/h3-6,8-12H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1
InChIKeyBDKBVEWSVRIYHN-RYQSKDSCSA-N
MW210.18 g/mol
LogP-3.25
Rot. Bonds2

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

(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol (PubChem CID 175505706) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
PubChem CID175505706
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
SMILESCO[C@@]1(O)[C@@H](O)C(O)O[C@H](CO)[C@@H]1O
InChIInChI=1S/C7H14O7/c1-13-7(12)4(9)3(2-8)14-6(11)5(7)10/h3-6,8-12H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1
InChIKeyBDKBVEWSVRIYHN-RYQSKDSCSA-N
XLogP-3.25
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 5-3.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 91313523
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-3,4-dimethyloxane-3,4,5-triol
CID 22887228
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
CID 125489858
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(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
(3S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 69474351
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol (CID 175505706) is (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol is CO[C@@]1(O)[C@@H](O)C(O)O[C@H](CO)[C@@H]1O.
What is the InChIKey of (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol?
The InChIKey is BDKBVEWSVRIYHN-RYQSKDSCSA-N. The full InChI is InChI=1S/C7H14O7/c1-13-7(12)4(9)3(2-8)14-6(11)5(7)10/h3-6,8-12H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1.
What are the key properties of (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol?
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol has a molecular weight of 210.18 g/mol, XLogP of -3.25, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol is sourced from PubChem (CID 175505706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).