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

C24H33N3O4Si — CID 58679019

IUPAC(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
SMILESCO[C@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)C(N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C24H33N3O4Si/c1-17-21(26-27-25)22(28)23(29-5)20(31-17)16-30-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21?,22-,23+/m1/s1
InChIKeyMHZDIEXMSQWZPA-NUGKFRFCSA-N
MW455.63 g/mol
LogP3.41
Rot. Bonds7

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

(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol (PubChem CID 58679019) has the molecular formula C24H33N3O4Si and a molecular weight of 455.63 g/mol. Its IUPAC name is (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
PubChem CID58679019
Molecular FormulaC24H33N3O4Si
Molecular Weight455.63 g/mol
Exact Mass455.22
IUPAC Name(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
SMILESCO[C@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)C(N=[N+]=[N-])[C@H]1O
InChIInChI=1S/C24H33N3O4Si/c1-17-21(26-27-25)22(28)23(29-5)20(31-17)16-30-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21?,22-,23+/m1/s1
InChIKeyMHZDIEXMSQWZPA-NUGKFRFCSA-N
XLogP3.41
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
CID 23255904
(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
(8R,8aS)-8-azido-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3S,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
CID 91112909
[(3S,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-6-methylsulfanyloxan-4-yl] benzoate
CID 173486964
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4R,5R,6R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-chloro-3-hydroxyoxan-4-yl]oxyoxan-2-yl]methyl acetate
CID 51051087

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol?
The IUPAC name of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol (CID 58679019) is (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol.
What is the SMILES notation for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol?
The canonical SMILES for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol is CO[C@H]1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)C(N=[N+]=[N-])[C@H]1O.
What is the InChIKey of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol?
The InChIKey is MHZDIEXMSQWZPA-NUGKFRFCSA-N. The full InChI is InChI=1S/C24H33N3O4Si/c1-17-21(26-27-25)22(28)23(29-5)20(31-17)16-30-32(24(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20-23,28H,16H2,1-5H3/t17?,20?,21?,22-,23+/m1/s1.
What are the key properties of (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol?
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol has a molecular weight of 455.63 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol is sourced from PubChem (CID 58679019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).