(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol

C8H19NO4 — CID 137488072

IUPAC(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol
SMILESCNCC(C(O)C(C)O)[C@@H](O)CO
InChIInChI=1S/C8H19NO4/c1-5(11)8(13)6(3-9-2)7(12)4-10/h5-13H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1
InChIKeyQRGPTYBKSAWURX-UWWAEOQPSA-N
MW193.24 g/mol
LogP-2.08
Rot. Bonds6

About (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol

(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol (PubChem CID 137488072) has the molecular formula C8H19NO4 and a molecular weight of 193.24 g/mol. Its IUPAC name is (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol.

Molecular Properties

Compound Name(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol
PubChem CID137488072
Molecular FormulaC8H19NO4
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol
SMILESCNCC(C(O)C(C)O)[C@@H](O)CO
InChIInChI=1S/C8H19NO4/c1-5(11)8(13)6(3-9-2)7(12)4-10/h5-13H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1
InChIKeyQRGPTYBKSAWURX-UWWAEOQPSA-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
(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
CID 159142928
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
calcium;hydride;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 173199422
hydrazine;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 161070671
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
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
(2R,3R)-butane-1,2,3-triol
CID 6398419
(2S,3R)-3-propan-2-ylbutane-1,2,4-triol
CID 10558771

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol?
The IUPAC name of (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol (CID 137488072) is (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol.
What is the SMILES notation for (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol?
The canonical SMILES for (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol is CNCC(C(O)C(C)O)[C@@H](O)CO.
What is the InChIKey of (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol?
The InChIKey is QRGPTYBKSAWURX-UWWAEOQPSA-N. The full InChI is InChI=1S/C8H19NO4/c1-5(11)8(13)6(3-9-2)7(12)4-10/h5-13H,3-4H2,1-2H3/t5?,6?,7-,8?/m0/s1.
What are the key properties of (2R)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol?
(2R)-3-(methylaminomethyl)hexane-1,2,4,5-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)-3-(methylaminomethyl)hexane-1,2,4,5-tetrol is sourced from PubChem (CID 137488072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).