(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol

C8H19NO5 — CID 155375199

IUPAC(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
SMILESCC([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CN
InChIInChI=1S/C8H19NO5/c1-4(5(11)2-9)7(13)8(14)6(12)3-10/h4-8,10-14H,2-3,9H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyYWWWZFNAGSQNFJ-XUQKIGAKSA-N
MW209.24 g/mol
LogP-2.98
Rot. Bonds6

About (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol

(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol (PubChem CID 155375199) has the molecular formula C8H19NO5 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
PubChem CID155375199
Molecular FormulaC8H19NO5
Molecular Weight209.24 g/mol
Exact Mass209.13
IUPAC Name(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol
SMILESCC([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CN
InChIInChI=1S/C8H19NO5/c1-4(5(11)2-9)7(13)8(14)6(12)3-10/h4-8,10-14H,2-3,9H2,1H3/t4?,5-,6+,7+,8+/m0/s1
InChIKeyYWWWZFNAGSQNFJ-XUQKIGAKSA-N
XLogP-2.98
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.24
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol with MolForge

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Related Compounds

(2R,3S,4S,5R)-6-aminohexane-1,2,3,4,5-pentol
CID 22863347
magnesium;(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;hydride
CID 173212793
4-methylhexane-1,2,3,5,6-pentol
CID 157441175
CID 87266813
CID 87266813
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(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,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
(2R,3R,4R,5S)-6-aminohexane-1,2,3,4,5-pentol;phosphoric acid
CID 87218150
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
acetic acid;(2R,3S,4R)-5-aminopentane-1,2,3,4-tetrol
CID 46915821
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol?
The IUPAC name of (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol (CID 155375199) is (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol.
What is the SMILES notation for (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol?
The canonical SMILES for (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol is CC([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)CN.
What is the InChIKey of (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol?
The InChIKey is YWWWZFNAGSQNFJ-XUQKIGAKSA-N. The full InChI is InChI=1S/C8H19NO5/c1-4(5(11)2-9)7(13)8(14)6(12)3-10/h4-8,10-14H,2-3,9H2,1H3/t4?,5-,6+,7+,8+/m0/s1.
What are the key properties of (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol?
(2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol has a molecular weight of 209.24 g/mol, XLogP of -2.98, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-7-amino-5-methylheptane-1,2,3,4,6-pentol is sourced from PubChem (CID 155375199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).