(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol

C33H35NO5 — CID 10649774

IUPAC(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol
SMILESO[C@@H]1[C@@H](NOCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-30-29(34-39-24-28-19-11-4-12-20-28)31(36-21-25-13-5-1-6-14-25)33(38-23-27-17-9-3-10-18-27)32(30)37-22-26-15-7-2-8-16-26/h1-20,29-35H,21-24H2/t29-,30-,31+,32-,33-/m1/s1
InChIKeyFMGBWIWLKSJZSM-IZDBAANZSA-N
MW525.65 g/mol
LogP5.21
Rot. Bonds13

About (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol

(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol (PubChem CID 10649774) has the molecular formula C33H35NO5 and a molecular weight of 525.65 g/mol. Its IUPAC name is (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol
PubChem CID10649774
Molecular FormulaC33H35NO5
Molecular Weight525.65 g/mol
Exact Mass525.25
IUPAC Name(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol
SMILESO[C@@H]1[C@@H](NOCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-30-29(34-39-24-28-19-11-4-12-20-28)31(36-21-25-13-5-1-6-14-25)33(38-23-27-17-9-3-10-18-27)32(30)37-22-26-15-7-2-8-16-26/h1-20,29-35H,21-24H2/t29-,30-,31+,32-,33-/m1/s1
InChIKeyFMGBWIWLKSJZSM-IZDBAANZSA-N
XLogP5.21
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1S,2S,3S,4R,5R,6S)-2-(butylamino)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11734665
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,2R,3R,4R,6S)-2,4-bis(phenylmethoxy)-6-(phenylmethoxyamino)cyclohexane-1,3-diol
CID 15755845
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
(1R,2R,3S,4R,5R,6R)-3,4-bis(phenylmethoxy)-2,5,6-tris(prop-2-enoxy)cyclohexan-1-ol
CID 27531776
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol (CID 10649774) is (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol is O[C@@H]1[C@@H](NOCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol?
The InChIKey is FMGBWIWLKSJZSM-IZDBAANZSA-N. The full InChI is InChI=1S/C33H35NO5/c35-30-29(34-39-24-28-19-11-4-12-20-28)31(36-21-25-13-5-1-6-14-25)33(38-23-27-17-9-3-10-18-27)32(30)37-22-26-15-7-2-8-16-26/h1-20,29-35H,21-24H2/t29-,30-,31+,32-,33-/m1/s1.
What are the key properties of (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol?
(1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol has a molecular weight of 525.65 g/mol, XLogP of 5.21, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxyamino)cyclopentan-1-ol is sourced from PubChem (CID 10649774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).