[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene

C45H43N3O4 — CID 10996058

IUPAC[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene
SMILES[N-]=[N+]=N[C@@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C45H43N3O4/c46-48-47-42(34-49-31-36-19-7-1-8-20-36)44(51-33-38-23-11-3-12-24-38)43(50-32-37-21-9-2-10-22-37)35-52-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-44H,31-35H2/t42-,43+,44+/m0/s1
InChIKeyJBTXFRVXPNRWSN-HHWNUHTHSA-N
MW689.86 g/mol
LogP10.06
Rot. Bonds19

About [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene

[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene (PubChem CID 10996058) has the molecular formula C45H43N3O4 and a molecular weight of 689.86 g/mol. Its IUPAC name is [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene
PubChem CID10996058
Molecular FormulaC45H43N3O4
Molecular Weight689.86 g/mol
Exact Mass689.33
IUPAC Name[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene
SMILES[N-]=[N+]=N[C@@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C45H43N3O4/c46-48-47-42(34-49-31-36-19-7-1-8-20-36)44(51-33-38-23-11-3-12-24-38)43(50-32-37-21-9-2-10-22-37)35-52-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-44H,31-35H2/t42-,43+,44+/m0/s1
InChIKeyJBTXFRVXPNRWSN-HHWNUHTHSA-N
XLogP10.06
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
(2S,3S,4R)-2-azido-4-phenylmethoxy-1-trityloxyoctadecan-3-ol
CID 140800620
[[(2R,3R,4R,5R)-6-[(2S,3S,4S,5S)-6-[(2S,3S,4R,5R)-3,5-dimethyl-2,4-bis(phenylmethoxy)-6-trityloxyhexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-2,3,4,5-tetrakis(phenylmethoxy)hexoxy]-diphenylmethyl]benzene
CID 90294885
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(2S,3S)-2-azido-1,3-bis(phenylmethoxy)octadecan-6-one
CID 46856229
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(3S)-3,4-bis(phenylmethoxy)-1-trityloxybutan-2-one
CID 10578419
(1S,2S,3R,4R)-1,2,3,4-tetrakis(phenylmethoxy)-5-[(3S,4S,5R,6S)-3,4,5,6-tetrakis(phenylmethoxy)-6-[(2R,3R,4R,5R)-2,3,4,5-tetrakis(phenylmethoxy)-6-trityloxyhexoxy]hexoxy]pentan-1-ol
CID 90294890
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene?
The IUPAC name of [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene (CID 10996058) is [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene.
What is the SMILES notation for [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene?
The canonical SMILES for [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene is [N-]=[N+]=N[C@@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene?
The InChIKey is JBTXFRVXPNRWSN-HHWNUHTHSA-N. The full InChI is InChI=1S/C45H43N3O4/c46-48-47-42(34-49-31-36-19-7-1-8-20-36)44(51-33-38-23-11-3-12-24-38)43(50-32-37-21-9-2-10-22-37)35-52-45(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-44H,31-35H2/t42-,43+,44+/m0/s1.
What are the key properties of [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene?
[(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene has a molecular weight of 689.86 g/mol, XLogP of 10.06, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-4-azido-2,5-bis(phenylmethoxy)-1-trityloxypentan-3-yl]oxymethylbenzene is sourced from PubChem (CID 10996058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).