(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol

C25H28O6 — CID 11761668

IUPAC(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O6/c26-16-21(27)23(29)24(30)22(28)17-31-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-30H,16-17H2/t21-,22+,23-,24-/m0/s1
InChIKeyKOLQKHZCCPMGNH-KIHHCIJBSA-N
MW424.49 g/mol
LogP1.43
Rot. Bonds10

About (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol

(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol (PubChem CID 11761668) has the molecular formula C25H28O6 and a molecular weight of 424.49 g/mol. Its IUPAC name is (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
PubChem CID11761668
Molecular FormulaC25H28O6
Molecular Weight424.49 g/mol
Exact Mass424.19
IUPAC Name(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28O6/c26-16-21(27)23(29)24(30)22(28)17-31-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-30H,16-17H2/t21-,22+,23-,24-/m0/s1
InChIKeyKOLQKHZCCPMGNH-KIHHCIJBSA-N
XLogP1.43
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol (CID 11761668) is (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol is OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol?
The InChIKey is KOLQKHZCCPMGNH-KIHHCIJBSA-N. The full InChI is InChI=1S/C25H28O6/c26-16-21(27)23(29)24(30)22(28)17-31-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21-24,26-30H,16-17H2/t21-,22+,23-,24-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol?
(2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol has a molecular weight of 424.49 g/mol, XLogP of 1.43, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-6-trityloxyhexane-1,2,3,4,5-pentol is sourced from PubChem (CID 11761668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).