6-amino-5-methylhexane-1,2,3,4,5-pentol

C7H17NO5 — CID 174511102

IUPAC6-amino-5-methylhexane-1,2,3,4,5-pentol
SMILESCC(O)(CN)C(O)C(O)C(O)CO
InChIInChI=1S/C7H17NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h4-6,9-13H,2-3,8H2,1H3
InChIKeyOOEAPMJJXSSAFM-UHFFFAOYSA-N
MW195.21 g/mol
LogP-3.23
Rot. Bonds5

About 6-amino-5-methylhexane-1,2,3,4,5-pentol

6-amino-5-methylhexane-1,2,3,4,5-pentol (PubChem CID 174511102) has the molecular formula C7H17NO5 and a molecular weight of 195.21 g/mol. Its IUPAC name is 6-amino-5-methylhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-amino-5-methylhexane-1,2,3,4,5-pentol
PubChem CID174511102
Molecular FormulaC7H17NO5
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name6-amino-5-methylhexane-1,2,3,4,5-pentol
SMILESCC(O)(CN)C(O)C(O)C(O)CO
InChIInChI=1S/C7H17NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h4-6,9-13H,2-3,8H2,1H3
InChIKeyOOEAPMJJXSSAFM-UHFFFAOYSA-N
XLogP-3.23
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500195.21
LogP ≤ 5-3.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-4-tert-butylpentane-1,2,3,5-tetrol
CID 58201927
(2S,3S,4R,5R)-2-but-2-en-2-ylhexane-1,2,3,4,5,6-hexol
CID 87557988
(2R,3R,4R,5R)-2-amino-2,3,4,5,6-pentahydroxyhexanoic acid
CID 163211863
(2S,3R,4R)-5,5,5-trifluoropentane-1,2,3,4-tetrol
CID 122371749
(2S)-2-amino-2,3,4,5,6-pentahydroxyhexanal
CID 135374199
2,3-dihydroxypropyl 2,3,4,5,6-pentahydroxy-2-methylhexanoate
CID 175213467
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methylhexane-1,2,3,4,5-pentol?
The IUPAC name of 6-amino-5-methylhexane-1,2,3,4,5-pentol (CID 174511102) is 6-amino-5-methylhexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-amino-5-methylhexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-amino-5-methylhexane-1,2,3,4,5-pentol is CC(O)(CN)C(O)C(O)C(O)CO.
What is the InChIKey of 6-amino-5-methylhexane-1,2,3,4,5-pentol?
The InChIKey is OOEAPMJJXSSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h4-6,9-13H,2-3,8H2,1H3.
What are the key properties of 6-amino-5-methylhexane-1,2,3,4,5-pentol?
6-amino-5-methylhexane-1,2,3,4,5-pentol has a molecular weight of 195.21 g/mol, XLogP of -3.23, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methylhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 174511102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).