(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

C24H30Cl2N2O4 — CID 28961215

IUPAC(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C24H30Cl2N2O4/c25-19-5-1-3-17(11-19)13-27(14-18-4-2-6-20(26)12-18)15-21-23(24(30)22(16-29)32-21)28-7-9-31-10-8-28/h1-6,11-12,21-24,29-30H,7-10,13-16H2/t21-,22+,23-,24-/m1/s1
InChIKeyHWXRRDSFYHWXRZ-UEQSERJNSA-N
MW481.42 g/mol
LogP2.82
Rot. Bonds8

About (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (PubChem CID 28961215) has the molecular formula C24H30Cl2N2O4 and a molecular weight of 481.42 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
PubChem CID28961215
Molecular FormulaC24H30Cl2N2O4
Molecular Weight481.42 g/mol
Exact Mass480.16
IUPAC Name(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESOC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C24H30Cl2N2O4/c25-19-5-1-3-17(11-19)13-27(14-18-4-2-6-20(26)12-18)15-21-23(24(30)22(16-29)32-21)28-7-9-31-10-8-28/h1-6,11-12,21-24,29-30H,7-10,13-16H2/t21-,22+,23-,24-/m1/s1
InChIKeyHWXRRDSFYHWXRZ-UEQSERJNSA-N
XLogP2.82
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 45361280
(2S,3S,5R)-5-[(dibenzylamino)methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol
CID 45361257
(2S,3S,4R,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol;dihydrochloride
CID 146118553
(2S,3S,4R,5R)-5-[[(3-chlorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-(4-phenylpiperazin-1-yl)oxolan-3-ol;trihydrochloride
CID 146118605
1-(3-chlorophenyl)-3-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-(4-methylpiperazin-1-yl)oxolan-2-yl]methyl]urea;dihydrochloride
CID 146118680
N-[(3-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)morpholine-4-carboxamide
CID 1248220
(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-3-ol;trihydrochloride
CID 146118787
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide;dihydrochloride
CID 146118760
(2R,3S,4S,5R)-2-[(3-chloroanilino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 10683684
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol;dihydrochloride
CID 146118858
1-(3-chlorophenyl)-3-[[4-hydroxy-5-(hydroxymethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]oxolan-2-yl]methyl]urea
CID 74578190

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (CID 28961215) is (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is OC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The InChIKey is HWXRRDSFYHWXRZ-UEQSERJNSA-N. The full InChI is InChI=1S/C24H30Cl2N2O4/c25-19-5-1-3-17(11-19)13-27(14-18-4-2-6-20(26)12-18)15-21-23(24(30)22(16-29)32-21)28-7-9-31-10-8-28/h1-6,11-12,21-24,29-30H,7-10,13-16H2/t21-,22+,23-,24-/m1/s1.
What are the key properties of (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol has a molecular weight of 481.42 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is sourced from PubChem (CID 28961215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).