(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol

C14H21NO4 — CID 18637868

IUPAC(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1C[C@@H](O)[C@H](O)[C@@H](CNCc2ccccc2)O1
InChIInChI=1S/C14H21NO4/c1-18-13-7-11(16)14(17)12(19-13)9-15-8-10-5-3-2-4-6-10/h2-6,11-17H,7-9H2,1H3/t11-,12-,13-,14+/m1/s1
InChIKeyHRQWGMUGSZMBAG-SYQHCUMBSA-N
MW267.32 g/mol
LogP0.26
Rot. Bonds5

About (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol

(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol (PubChem CID 18637868) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol
PubChem CID18637868
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol
SMILESCO[C@H]1C[C@@H](O)[C@H](O)[C@@H](CNCc2ccccc2)O1
InChIInChI=1S/C14H21NO4/c1-18-13-7-11(16)14(17)12(19-13)9-15-8-10-5-3-2-4-6-10/h2-6,11-17H,7-9H2,1H3/t11-,12-,13-,14+/m1/s1
InChIKeyHRQWGMUGSZMBAG-SYQHCUMBSA-N
XLogP0.26
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol (CID 18637868) is (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol is CO[C@H]1C[C@@H](O)[C@H](O)[C@@H](CNCc2ccccc2)O1.
What is the InChIKey of (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol?
The InChIKey is HRQWGMUGSZMBAG-SYQHCUMBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-18-13-7-11(16)14(17)12(19-13)9-15-8-10-5-3-2-4-6-10/h2-6,11-17H,7-9H2,1H3/t11-,12-,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol?
(2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol has a molecular weight of 267.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 18637868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).