(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol

C30H37N3O5Si — CID 52918394

IUPAC(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C30H37N3O5Si/c1-30(2,3)39(23-16-10-6-11-17-23,24-18-12-7-13-19-24)37-21-25-27(34)28(26(32-33-31)29(35-4)38-25)36-20-22-14-8-5-9-15-22/h5-19,25-29,34H,20-21H2,1-4H3/t25-,26-,27-,28-,29+/m1/s1
InChIKeyBVJTUAVUPWOUFK-JPHCZMGXSA-N
MW547.73 g/mol
LogP4.56
Rot. Bonds10

About (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol

(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol (PubChem CID 52918394) has the molecular formula C30H37N3O5Si and a molecular weight of 547.73 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
PubChem CID52918394
Molecular FormulaC30H37N3O5Si
Molecular Weight547.73 g/mol
Exact Mass547.25
IUPAC Name(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
SMILESCO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C30H37N3O5Si/c1-30(2,3)39(23-16-10-6-11-17-23,24-18-12-7-13-19-24)37-21-25-27(34)28(26(32-33-31)29(35-4)38-25)36-20-22-14-8-5-9-15-22/h5-19,25-29,34H,20-21H2,1-4H3/t25-,26-,27-,28-,29+/m1/s1
InChIKeyBVJTUAVUPWOUFK-JPHCZMGXSA-N
XLogP4.56
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.73
LogP ≤ 54.56
H-Bond Donors ≤ 51
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(3R,4R,6R)-5-azido-6-methoxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 59621111
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 70920316
[(2S,3R,4S,5R,6S)-2-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-5-azido-6-methoxy-4-phenylmethoxyoxan-3-yl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 101441862
[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 86587178
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(3R,4S,6S)-6-[(3S,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4S,6S)-6-[(3S,4R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4,5-dimethyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-yl]oxy-4-methyloxan-3-yl]oxy-2,5-dimethyl-4-phenylmethoxyoxan-3-ol
CID 173465057
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol (CID 52918394) is (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol is CO[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1N=[N+]=[N-].
What is the InChIKey of (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol?
The InChIKey is BVJTUAVUPWOUFK-JPHCZMGXSA-N. The full InChI is InChI=1S/C30H37N3O5Si/c1-30(2,3)39(23-16-10-6-11-17-23,24-18-12-7-13-19-24)37-21-25-27(34)28(26(32-33-31)29(35-4)38-25)36-20-22-14-8-5-9-15-22/h5-19,25-29,34H,20-21H2,1-4H3/t25-,26-,27-,28-,29+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol?
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol has a molecular weight of 547.73 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 52918394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).