(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol

C8H14N4O5 — CID 11776652

IUPAC(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol
SMILESCO[C@@]1(c2nn[nH]n2)C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14N4O5/c1-16-8(7-9-11-12-10-7)2-4(14)6(15)5(3-13)17-8/h4-6,13-15H,2-3H2,1H3,(H,9,10,11,12)/t4-,5-,6+,8+/m1/s1
InChIKeyJFSRFPAJXPLFFD-NRFSWKIWSA-N
MW246.22 g/mol
LogP-2.50
Rot. Bonds3

About (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol

(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol (PubChem CID 11776652) has the molecular formula C8H14N4O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol
PubChem CID11776652
Molecular FormulaC8H14N4O5
Molecular Weight246.22 g/mol
Exact Mass246.10
IUPAC Name(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol
SMILESCO[C@@]1(c2nn[nH]n2)C[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C8H14N4O5/c1-16-8(7-9-11-12-10-7)2-4(14)6(15)5(3-13)17-8/h4-6,13-15H,2-3H2,1H3,(H,9,10,11,12)/t4-,5-,6+,8+/m1/s1
InChIKeyJFSRFPAJXPLFFD-NRFSWKIWSA-N
XLogP-2.50
TPSA133.61 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-2.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol (CID 11776652) is (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol is CO[C@@]1(c2nn[nH]n2)C[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol?
The InChIKey is JFSRFPAJXPLFFD-NRFSWKIWSA-N. The full InChI is InChI=1S/C8H14N4O5/c1-16-8(7-9-11-12-10-7)2-4(14)6(15)5(3-13)17-8/h4-6,13-15H,2-3H2,1H3,(H,9,10,11,12)/t4-,5-,6+,8+/m1/s1.
What are the key properties of (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol?
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol has a molecular weight of 246.22 g/mol, XLogP of -2.50, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol is sourced from PubChem (CID 11776652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).