(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol

C10H21NO5 — CID 11310892

IUPAC(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol
SMILESOCCNC1CC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO5/c12-4-3-11-6-1-2-7(13)9(15)10(16)8(14)5-6/h6-16H,1-5H2/t6?,7-,8-,9+,10+/m0/s1
InChIKeyLBKPDORJHDRGBZ-XNMJNOLGSA-N
MW235.28 g/mol
LogP-2.44
Rot. Bonds3

About (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol

(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol (PubChem CID 11310892) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol
PubChem CID11310892
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol
SMILESOCCNC1CC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1
InChIInChI=1S/C10H21NO5/c12-4-3-11-6-1-2-7(13)9(15)10(16)8(14)5-6/h6-16H,1-5H2/t6?,7-,8-,9+,10+/m0/s1
InChIKeyLBKPDORJHDRGBZ-XNMJNOLGSA-N
XLogP-2.44
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.28
LogP ≤ 5-2.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol?
The IUPAC name of (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol (CID 11310892) is (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol is OCCNC1CC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C1.
What is the InChIKey of (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol?
The InChIKey is LBKPDORJHDRGBZ-XNMJNOLGSA-N. The full InChI is InChI=1S/C10H21NO5/c12-4-3-11-6-1-2-7(13)9(15)10(16)8(14)5-6/h6-16H,1-5H2/t6?,7-,8-,9+,10+/m0/s1.
What are the key properties of (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol?
(1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol has a molecular weight of 235.28 g/mol, XLogP of -2.44, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S)-6-(2-hydroxyethylamino)cyclooctane-1,2,3,4-tetrol is sourced from PubChem (CID 11310892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).