(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

C12H26N2O7 — CID 159507327

IUPAC(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@H]1NCC[C@@H](O)[C@@H]1O.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4.C6H13NO3/c8-2-3-5(10)6(11)4(9)1-7-3;8-3-4-6(10)5(9)1-2-7-4/h3-11H,1-2H2;4-10H,1-3H2/t3-,4+,5-,6-;4-,5-,6-/m11/s1
InChIKeyMADXCHHCPOKWAE-GNBZZPNTSA-N
MW310.35 g/mol
LogP-4.90
Rot. Bonds2

About (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 159507327) has the molecular formula C12H26N2O7 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID159507327
Molecular FormulaC12H26N2O7
Molecular Weight310.35 g/mol
Exact Mass310.17
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@H]1NCC[C@@H](O)[C@@H]1O.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13NO4.C6H13NO3/c8-2-3-5(10)6(11)4(9)1-7-3;8-3-4-6(10)5(9)1-2-7-4/h3-11H,1-2H2;4-10H,1-3H2/t3-,4+,5-,6-;4-,5-,6-/m11/s1
InChIKeyMADXCHHCPOKWAE-GNBZZPNTSA-N
XLogP-4.90
TPSA165.67 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 5-4.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 159507327) is (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@H]1NCC[C@@H](O)[C@@H]1O.OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is MADXCHHCPOKWAE-GNBZZPNTSA-N. The full InChI is InChI=1S/C6H13NO4.C6H13NO3/c8-2-3-5(10)6(11)4(9)1-7-3;8-3-4-6(10)5(9)1-2-7-4/h3-11H,1-2H2;4-10H,1-3H2/t3-,4+,5-,6-;4-,5-,6-/m11/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 310.35 g/mol, XLogP of -4.90, 2 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 159507327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).