(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol

C25H53NO6 — CID 139633655

IUPAC(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
SMILESOCCCCCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H53NO6/c27-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26-20-22(29)24(31)25(32)23(30)21-28/h22-32H,1-21H2/t22-,23+,24+,25+/m0/s1
InChIKeySVABSFQUWVGHOU-ZYQDXHPFSA-N
MW463.70 g/mol
LogP2.64
Rot. Bonds25

About (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol

(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol (PubChem CID 139633655) has the molecular formula C25H53NO6 and a molecular weight of 463.70 g/mol. Its IUPAC name is (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
PubChem CID139633655
Molecular FormulaC25H53NO6
Molecular Weight463.70 g/mol
Exact Mass463.39
IUPAC Name(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol
SMILESOCCCCCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H53NO6/c27-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26-20-22(29)24(31)25(32)23(30)21-28/h22-32H,1-21H2/t22-,23+,24+,25+/m0/s1
InChIKeySVABSFQUWVGHOU-ZYQDXHPFSA-N
XLogP2.64
TPSA133.41 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.70
LogP ≤ 52.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol (CID 139633655) is (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol is OCCCCCCCCCCCCCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol?
The InChIKey is SVABSFQUWVGHOU-ZYQDXHPFSA-N. The full InChI is InChI=1S/C25H53NO6/c27-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26-20-22(29)24(31)25(32)23(30)21-28/h22-32H,1-21H2/t22-,23+,24+,25+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol?
(2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol has a molecular weight of 463.70 g/mol, XLogP of 2.64, 25 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-6-(19-hydroxynonadecylamino)hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 139633655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).