6-imino-7-methyloctane-2,3,4,5-tetrol

C9H19NO4 — CID 134382365

IUPAC6-imino-7-methyloctane-2,3,4,5-tetrol
SMILES[H]/N=C(\C(C)C)C(O)C(O)C(O)C(C)O
InChIInChI=1S/C9H19NO4/c1-4(2)6(10)8(13)9(14)7(12)5(3)11/h4-5,7-14H,1-3H3/b10-6+
InChIKeySDTVQYGZVWCMJI-UXBLZVDNSA-N
MW205.25 g/mol
LogP-0.87
Rot. Bonds5

About 6-imino-7-methyloctane-2,3,4,5-tetrol

6-imino-7-methyloctane-2,3,4,5-tetrol (PubChem CID 134382365) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 6-imino-7-methyloctane-2,3,4,5-tetrol.

Molecular Properties

Compound Name6-imino-7-methyloctane-2,3,4,5-tetrol
PubChem CID134382365
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name6-imino-7-methyloctane-2,3,4,5-tetrol
SMILES[H]/N=C(\C(C)C)C(O)C(O)C(O)C(C)O
InChIInChI=1S/C9H19NO4/c1-4(2)6(10)8(13)9(14)7(12)5(3)11/h4-5,7-14H,1-3H3/b10-6+
InChIKeySDTVQYGZVWCMJI-UXBLZVDNSA-N
XLogP-0.87
TPSA104.77 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4R)-1,2-diamino-5-imino-6-methylheptane-3,4-diol
CID 88890970
4-imino-3,5-dimethylhexan-2-ol
CID 158629570
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
heptane-2,3,4,5,6-pentol
CID 59809248
(5S)-4-imino-5-methoxyhexane-2,3-diol
CID 171517765
3-hydroxy-2-(1-hydroxybutyl)-4-imino-5-methylhexanenitrile
CID 134382344
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyheptan-2-one
CID 21126247
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(3S,4R,5R,6S)-3,4,5,6-tetrahydroxyheptan-2-one
CID 89239779
1-amino-5-imino-6-methylheptan-4-ol
CID 89424592
1-hydroxyethyl carbamimidothioate
CID 19790650

Frequently Asked Questions

What is the IUPAC name of 6-imino-7-methyloctane-2,3,4,5-tetrol?
The IUPAC name of 6-imino-7-methyloctane-2,3,4,5-tetrol (CID 134382365) is 6-imino-7-methyloctane-2,3,4,5-tetrol.
What is the SMILES notation for 6-imino-7-methyloctane-2,3,4,5-tetrol?
The canonical SMILES for 6-imino-7-methyloctane-2,3,4,5-tetrol is [H]/N=C(\C(C)C)C(O)C(O)C(O)C(C)O.
What is the InChIKey of 6-imino-7-methyloctane-2,3,4,5-tetrol?
The InChIKey is SDTVQYGZVWCMJI-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H19NO4/c1-4(2)6(10)8(13)9(14)7(12)5(3)11/h4-5,7-14H,1-3H3/b10-6+.
What are the key properties of 6-imino-7-methyloctane-2,3,4,5-tetrol?
6-imino-7-methyloctane-2,3,4,5-tetrol has a molecular weight of 205.25 g/mol, XLogP of -0.87, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-7-methyloctane-2,3,4,5-tetrol is sourced from PubChem (CID 134382365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).