2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol

C15H20N4O5 — CID 44816688

IUPAC2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol
SMILESOCC1OC(n2nnc(CCc3ccccc3)n2)C(O)C(O)C1O
InChIInChI=1S/C15H20N4O5/c20-8-10-12(21)13(22)14(23)15(24-10)19-17-11(16-18-19)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,20-23H,6-8H2
InChIKeyCPQRXCWNCDUCTQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP-1.57
Rot. Bonds5

About 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol (PubChem CID 44816688) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol
PubChem CID44816688
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol
SMILESOCC1OC(n2nnc(CCc3ccccc3)n2)C(O)C(O)C1O
InChIInChI=1S/C15H20N4O5/c20-8-10-12(21)13(22)14(23)15(24-10)19-17-11(16-18-19)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,20-23H,6-8H2
InChIKeyCPQRXCWNCDUCTQ-UHFFFAOYSA-N
XLogP-1.57
TPSA133.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44814808
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-(3-phenylpropyl)triazol-1-yl]oxane-3,4,5-triol
CID 138520938
2-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44814807
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-phenylethyl)pyrimidin-2-one
CID 57036725
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
CID 11565773
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-3-(2-phenylethyl)pyridin-2-one
CID 77479102
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-phenylethyldisulfanyl)oxane-3,4,5-triol
CID 73353491
4-N,5-N-dibenzyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4,5-dicarboxamide
CID 10896340
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(4-phenylbut-1-ynyl)imidazole-4-carboxamide
CID 46876966
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(2-phenylethylamino)pyrimidin-2-one
CID 22838636
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 154007050

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol (CID 44816688) is 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol is OCC1OC(n2nnc(CCc3ccccc3)n2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol?
The InChIKey is CPQRXCWNCDUCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-8-10-12(21)13(22)14(23)15(24-10)19-17-11(16-18-19)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,20-23H,6-8H2.
What are the key properties of 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol has a molecular weight of 336.35 g/mol, XLogP of -1.57, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[5-(2-phenylethyl)tetrazol-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 44816688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).