(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride

C34H38ClNO5 — CID 162737026

IUPAC(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride
SMILESCl.N[C@H]1C(OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H37NO5.ClH/c35-31-33(38-23-28-17-9-3-10-18-28)32(37-22-27-15-7-2-8-16-27)30(25-36-21-26-13-5-1-6-14-26)40-34(31)39-24-29-19-11-4-12-20-29;/h1-20,30-34H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1
InChIKeyRLOBEPJQZFGAPX-XTNXPORCSA-N
MW576.13 g/mol
LogP6.06
Rot. Bonds13

About (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride

(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride (PubChem CID 162737026) has the molecular formula C34H38ClNO5 and a molecular weight of 576.13 g/mol. Its IUPAC name is (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride
PubChem CID162737026
Molecular FormulaC34H38ClNO5
Molecular Weight576.13 g/mol
Exact Mass575.24
IUPAC Name(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride
SMILESCl.N[C@H]1C(OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H37NO5.ClH/c35-31-33(38-23-28-17-9-3-10-18-28)32(37-22-27-15-7-2-8-16-27)30(25-36-21-26-13-5-1-6-14-26)40-34(31)39-24-29-19-11-4-12-20-29;/h1-20,30-34H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1
InChIKeyRLOBEPJQZFGAPX-XTNXPORCSA-N
XLogP6.06
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.13
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride?
The IUPAC name of (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride (CID 162737026) is (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride.
What is the SMILES notation for (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride?
The canonical SMILES for (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride is Cl.N[C@H]1C(OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride?
The InChIKey is RLOBEPJQZFGAPX-XTNXPORCSA-N. The full InChI is InChI=1S/C34H37NO5.ClH/c35-31-33(38-23-28-17-9-3-10-18-28)32(37-22-27-15-7-2-8-16-27)30(25-36-21-26-13-5-1-6-14-26)40-34(31)39-24-29-19-11-4-12-20-29;/h1-20,30-34H,21-25,35H2;1H/t30-,31-,32-,33-,34?;/m1./s1.
What are the key properties of (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride?
(3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride has a molecular weight of 576.13 g/mol, XLogP of 6.06, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine;hydrochloride is sourced from PubChem (CID 162737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).