(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol

C22H41N3O5 — CID 25169395

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol
SMILESCCCCCCCCCCCCCCOCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)nn1
InChIInChI=1S/C22H41N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-17-18-15-25(24-23-18)22-21(28)20(27)19(16-26)30-22/h15,19-22,26-28H,2-14,16-17H2,1H3/t19-,20-,21+,22-/m1/s1
InChIKeySZUCQBPOONKMTR-YUMYIRISSA-N
MW427.59 g/mol
LogP3.11
Rot. Bonds17

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol (PubChem CID 25169395) has the molecular formula C22H41N3O5 and a molecular weight of 427.59 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol
PubChem CID25169395
Molecular FormulaC22H41N3O5
Molecular Weight427.59 g/mol
Exact Mass427.30
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol
SMILESCCCCCCCCCCCCCCOCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)nn1
InChIInChI=1S/C22H41N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-17-18-15-25(24-23-18)22-21(28)20(27)19(16-26)30-22/h15,19-22,26-28H,2-14,16-17H2,1H3/t19-,20-,21+,22-/m1/s1
InChIKeySZUCQBPOONKMTR-YUMYIRISSA-N
XLogP3.11
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol (CID 25169395) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol is CCCCCCCCCCCCCCOCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)nn1.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol?
The InChIKey is SZUCQBPOONKMTR-YUMYIRISSA-N. The full InChI is InChI=1S/C22H41N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-17-18-15-25(24-23-18)22-21(28)20(27)19(16-26)30-22/h15,19-22,26-28H,2-14,16-17H2,1H3/t19-,20-,21+,22-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol has a molecular weight of 427.59 g/mol, XLogP of 3.11, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-[4-(tetradecoxymethyl)triazol-1-yl]oxolane-3,4-diol is sourced from PubChem (CID 25169395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).