(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol

C8H17NO6 — CID 10656697

IUPAC(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
SMILESOC[C@H](O)[C@H](O)[C@H]1NC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO6/c10-2-4(12)6(13)5-8(15)7(14)3(11)1-9-5/h3-15H,1-2H2/t3-,4-,5+,6-,7-,8+/m0/s1
InChIKeyGEVFHNLSGFMPMF-IXEAHQSFSA-N
MW223.22 g/mol
LogP-4.24
Rot. Bonds3

About (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol

(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol (PubChem CID 10656697) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
PubChem CID10656697
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol
SMILESOC[C@H](O)[C@H](O)[C@H]1NC[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H17NO6/c10-2-4(12)6(13)5-8(15)7(14)3(11)1-9-5/h3-15H,1-2H2/t3-,4-,5+,6-,7-,8+/m0/s1
InChIKeyGEVFHNLSGFMPMF-IXEAHQSFSA-N
XLogP-4.24
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.22
LogP ≤ 5-4.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol (CID 10656697) is (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol is OC[C@H](O)[C@H](O)[C@H]1NC[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol?
The InChIKey is GEVFHNLSGFMPMF-IXEAHQSFSA-N. The full InChI is InChI=1S/C8H17NO6/c10-2-4(12)6(13)5-8(15)7(14)3(11)1-9-5/h3-15H,1-2H2/t3-,4-,5+,6-,7-,8+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol?
(2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol has a molecular weight of 223.22 g/mol, XLogP of -4.24, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[(1R,2S)-1,2,3-trihydroxypropyl]piperidine-3,4,5-triol is sourced from PubChem (CID 10656697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).