2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol

C13H25NO10 — CID 22174205

IUPAC2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol
SMILESCOC1(C2NC(CO)C(O)C(O)C2O)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C13H25NO10/c1-23-13(12(22)10(21)7(18)5(3-16)24-13)11-9(20)8(19)6(17)4(2-15)14-11/h4-12,14-22H,2-3H2,1H3
InChIKeyJVHNDORZQVXCHS-UHFFFAOYSA-N
MW355.34 g/mol
LogP-5.78
Rot. Bonds4

About 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol

2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol (PubChem CID 22174205) has the molecular formula C13H25NO10 and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol
PubChem CID22174205
Molecular FormulaC13H25NO10
Molecular Weight355.34 g/mol
Exact Mass355.15
IUPAC Name2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol
SMILESCOC1(C2NC(CO)C(O)C(O)C2O)OC(CO)C(O)C(O)C1O
InChIInChI=1S/C13H25NO10/c1-23-13(12(22)10(21)7(18)5(3-16)24-13)11-9(20)8(19)6(17)4(2-15)14-11/h4-12,14-22H,2-3H2,1H3
InChIKeyJVHNDORZQVXCHS-UHFFFAOYSA-N
XLogP-5.78
TPSA192.33 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500355.34
LogP ≤ 5-5.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 57317456
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxane-2-carbaldehyde
CID 174916600
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
bis[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] oxalate
CID 174160033
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]piperidine-3,4,5-triol
CID 11461899

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol (CID 22174205) is 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol is COC1(C2NC(CO)C(O)C(O)C2O)OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol?
The InChIKey is JVHNDORZQVXCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO10/c1-23-13(12(22)10(21)7(18)5(3-16)24-13)11-9(20)8(19)6(17)4(2-15)14-11/h4-12,14-22H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol?
2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol has a molecular weight of 355.34 g/mol, XLogP of -5.78, 4 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]piperidine-3,4,5-triol is sourced from PubChem (CID 22174205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).