(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol

C6H14NO5+ — CID 90658360

IUPAC(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol
SMILESOC[C@H]1[NH2+]C(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/p+1/t2-,3-,4+,5-,6?/m1/s1
InChIKeyBGMYHTUCJVZIRP-GASJEMHNSA-O
MW180.18 g/mol
LogP-4.67
Rot. Bonds1

About (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol

(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol (PubChem CID 90658360) has the molecular formula C6H14NO5+ and a molecular weight of 180.18 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol
PubChem CID90658360
Molecular FormulaC6H14NO5+
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol
SMILESOC[C@H]1[NH2+]C(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/p+1/t2-,3-,4+,5-,6?/m1/s1
InChIKeyBGMYHTUCJVZIRP-GASJEMHNSA-O
XLogP-4.67
TPSA117.76 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.18
LogP ≤ 5-4.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidin-1-ium-3,4-diol chloride
CID 11480856
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
CID 135009649
(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-methoxypiperidin-1-ium-3,4-diol chloride
CID 10656232
(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]azanium
CID 40566342
(4S)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166604477
(1R,2S,3R,4S,4aR,5S,6R,7R,8S,8aR)-8-(hydroxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,3,4,5,6,7-heptol
CID 100995414
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol (CID 90658360) is (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol is OC[C@H]1[NH2+]C(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol?
The InChIKey is BGMYHTUCJVZIRP-GASJEMHNSA-O. The full InChI is InChI=1S/C6H13NO5/c8-1-2-3(9)4(10)5(11)6(12)7-2/h2-12H,1H2/p+1/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol?
(3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol has a molecular weight of 180.18 g/mol, XLogP of -4.67, 1 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-(hydroxymethyl)piperidin-1-ium-2,3,4,5-tetrol is sourced from PubChem (CID 90658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).