(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol

C6H15NO4 — CID 59973525

IUPAC(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
SMILESCNC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO4/c1-7-2-4(9)6(11)5(10)3-8/h4-11H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyKYYOVZHUAVNUCN-PBXRRBTRSA-N
MW165.19 g/mol
LogP-2.72
Rot. Bonds5

About (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol

(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol (PubChem CID 59973525) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
PubChem CID59973525
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
SMILESCNC[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H15NO4/c1-7-2-4(9)6(11)5(10)3-8/h4-11H,2-3H2,1H3/t4-,5-,6+/m1/s1
InChIKeyKYYOVZHUAVNUCN-PBXRRBTRSA-N
XLogP-2.72
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
hydrazine;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 161070671
calcium;hydride;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 173199422
azane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;hydrate
CID 172742927
carbonodithioic S,S-acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 158653369
(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
CID 159142928
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 87714012
iron(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;tricarbamodithioate
CID 173160651
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,3R,4R,5R)-1-(methylamino)heptane-2,3,4,5-tetrol
CID 158104697

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol (CID 59973525) is (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol is CNC[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol?
The InChIKey is KYYOVZHUAVNUCN-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H15NO4/c1-7-2-4(9)6(11)5(10)3-8/h4-11H,2-3H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol?
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol has a molecular weight of 165.19 g/mol, XLogP of -2.72, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 59973525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).