(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol

C20H26N2O4 — CID 70873168

IUPAC(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](NCc2ccccc2)[C@@H](NCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H26N2O4/c23-13-16-18(24)19(25)17(21-11-14-7-3-1-4-8-14)20(26-16)22-12-15-9-5-2-6-10-15/h1-10,16-25H,11-13H2/t16-,17+,18-,19-,20-/m1/s1
InChIKeyWBZWWIAIVJIFMI-USYVTKNRSA-N
MW358.44 g/mol
LogP0.37
Rot. Bonds7

About (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 70873168) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID70873168
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol
SMILESOC[C@H]1O[C@@H](NCc2ccccc2)[C@@H](NCc2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H26N2O4/c23-13-16-18(24)19(25)17(21-11-14-7-3-1-4-8-14)20(26-16)22-12-15-9-5-2-6-10-15/h1-10,16-25H,11-13H2/t16-,17+,18-,19-,20-/m1/s1
InChIKeyWBZWWIAIVJIFMI-USYVTKNRSA-N
XLogP0.37
TPSA93.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol (CID 70873168) is (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol is OC[C@H]1O[C@@H](NCc2ccccc2)[C@@H](NCc2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WBZWWIAIVJIFMI-USYVTKNRSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-13-16-18(24)19(25)17(21-11-14-7-3-1-4-8-14)20(26-16)22-12-15-9-5-2-6-10-15/h1-10,16-25H,11-13H2/t16-,17+,18-,19-,20-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 358.44 g/mol, XLogP of 0.37, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6R)-5,6-bis(benzylamino)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 70873168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).