(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol

C8H19NO4 — CID 159142928

IUPAC(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
SMILESCNC[C@H](O)[C@@H](C)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H19NO4/c1-5(6(11)3-9-2)8(13)7(12)4-10/h5-13H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyZERLMCHSKGCAOW-CWKFCGSDSA-N
MW193.24 g/mol
LogP-2.08
Rot. Bonds6

About (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol

(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol (PubChem CID 159142928) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
PubChem CID159142928
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
SMILESCNC[C@H](O)[C@@H](C)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H19NO4/c1-5(6(11)3-9-2)8(13)7(12)4-10/h5-13H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyZERLMCHSKGCAOW-CWKFCGSDSA-N
XLogP-2.08
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 5-2.08
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
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
4-methylhexane-1,2,3,5,6-pentol
CID 157441175
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
(3S)-3,4-dimethyl-1-(methylamino)pentan-2-ol
CID 174001748
carbonodithioic S,S-acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 158653369
(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol
CID 137488072
2-amino-2-(hydroxymethyl)propane-1,3-diol;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 87714012
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The IUPAC name of (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol (CID 159142928) is (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol.
What is the SMILES notation for (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The canonical SMILES for (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol is CNC[C@H](O)[C@@H](C)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol?
The InChIKey is ZERLMCHSKGCAOW-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H19NO4/c1-5(6(11)3-9-2)8(13)7(12)4-10/h5-13H,3-4H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol?
(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol has a molecular weight of 193.24 g/mol, XLogP of -2.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol is sourced from PubChem (CID 159142928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).