(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol

C13H27NO4 — CID 127036001

IUPAC(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)CNC1CCCCCCC1
InChIInChI=1S/C13H27NO4/c15-9-12(17)13(18)11(16)8-14-10-6-4-2-1-3-5-7-10/h10-18H,1-9H2/t11-,12-,13-/m1/s1
InChIKeyHSNCSKOVCRVSQI-JHJVBQTASA-N
MW261.36 g/mol
LogP-0.24
Rot. Bonds6

About (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol

(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol (PubChem CID 127036001) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
PubChem CID127036001
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)CNC1CCCCCCC1
InChIInChI=1S/C13H27NO4/c15-9-12(17)13(18)11(16)8-14-10-6-4-2-1-3-5-7-10/h10-18H,1-9H2/t11-,12-,13-/m1/s1
InChIKeyHSNCSKOVCRVSQI-JHJVBQTASA-N
XLogP-0.24
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol (CID 127036001) is (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol is OC[C@@H](O)[C@H](O)[C@H](O)CNC1CCCCCCC1.
What is the InChIKey of (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol?
The InChIKey is HSNCSKOVCRVSQI-JHJVBQTASA-N. The full InChI is InChI=1S/C13H27NO4/c15-9-12(17)13(18)11(16)8-14-10-6-4-2-1-3-5-7-10/h10-18H,1-9H2/t11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol?
(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol has a molecular weight of 261.36 g/mol, XLogP of -0.24, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 127036001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).