(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane

C42H41N3O5 — CID 14464068

IUPAC(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
SMILESC=CCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C42H41N3O5/c1-2-28-46-41-38(44-45-43)40(48-30-33-20-10-4-11-21-33)39(47-29-32-18-8-3-9-19-32)37(50-41)31-49-42(34-22-12-5-13-23-34,35-24-14-6-15-25-35)36-26-16-7-17-27-36/h2-27,37-41H,1,28-31H2/t37-,38-,39+,40-,41-/m1/s1
InChIKeyNOHNTKXQDJJIRV-PGSFLWIGSA-N
MW667.81 g/mol
LogP8.77
Rot. Bonds16

About (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane

(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane (PubChem CID 14464068) has the molecular formula C42H41N3O5 and a molecular weight of 667.81 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
PubChem CID14464068
Molecular FormulaC42H41N3O5
Molecular Weight667.81 g/mol
Exact Mass667.30
IUPAC Name(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
SMILESC=CCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C42H41N3O5/c1-2-28-46-41-38(44-45-43)40(48-30-33-20-10-4-11-21-33)39(47-29-32-18-8-3-9-19-32)37(50-41)31-49-42(34-22-12-5-13-23-34,35-24-14-6-15-25-35)36-26-16-7-17-27-36/h2-27,37-41H,1,28-31H2/t37-,38-,39+,40-,41-/m1/s1
InChIKeyNOHNTKXQDJJIRV-PGSFLWIGSA-N
XLogP8.77
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2R,3R,4R,5S,6R)-3-azido-2-[(1S,2S,3R,4S,5S,6R)-5-[(4-bromophenyl)methoxy]-2,3,4-tris(phenylmethoxy)-6-prop-2-enoxycyclohexyl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11815644
[(2R,3S,4R,5R)-6-acetyloxy-5-azido-4-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]methyl acetate
CID 102245198
(2R,3S,4R,5S,6S)-5-azido-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 10815212
(2S,3R,4R,5R,6R)-2-[[(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-5-phenylmethoxy-6-prop-2-enoxy-4-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 54675197
(2R,3R,4R,5R,6R)-3-azido-2-[(2S)-but-3-en-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101090917
(1S,2S,3S,4R,5S,6S)-2-[(2S,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11051363
(1S,2R,3S,4S,5R,6S)-3-[(2S,3R,4R,5S,6R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5,6-tris(phenylmethoxy)cyclohexane-1,2-diol
CID 10876698
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane?
The IUPAC name of (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane (CID 14464068) is (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane.
What is the SMILES notation for (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane?
The canonical SMILES for (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane is C=CCO[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane?
The InChIKey is NOHNTKXQDJJIRV-PGSFLWIGSA-N. The full InChI is InChI=1S/C42H41N3O5/c1-2-28-46-41-38(44-45-43)40(48-30-33-20-10-4-11-21-33)39(47-29-32-18-8-3-9-19-32)37(50-41)31-49-42(34-22-12-5-13-23-34,35-24-14-6-15-25-35)36-26-16-7-17-27-36/h2-27,37-41H,1,28-31H2/t37-,38-,39+,40-,41-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane?
(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane has a molecular weight of 667.81 g/mol, XLogP of 8.77, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane is sourced from PubChem (CID 14464068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).