6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol

C26H39NO6Si — CID 167659954

IUPAC6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol
SMILESCC1C(OCC(O)CN)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O
InChIInChI=1S/C26H39NO6Si/c1-18-23(29)24(30)22(33-25(18)31-16-19(28)15-27)17-32-34(26(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-25,28-30H,15-17,27H2,1-4H3
InChIKeyWMJLMXYCDGIXSZ-UHFFFAOYSA-N
MW489.69 g/mol
LogP0.98
Rot. Bonds9

About 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol

6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol (PubChem CID 167659954) has the molecular formula C26H39NO6Si and a molecular weight of 489.69 g/mol. Its IUPAC name is 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol
PubChem CID167659954
Molecular FormulaC26H39NO6Si
Molecular Weight489.69 g/mol
Exact Mass489.25
IUPAC Name6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol
SMILESCC1C(OCC(O)CN)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O
InChIInChI=1S/C26H39NO6Si/c1-18-23(29)24(30)22(33-25(18)31-16-19(28)15-27)17-32-34(26(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-25,28-30H,15-17,27H2,1-4H3
InChIKeyWMJLMXYCDGIXSZ-UHFFFAOYSA-N
XLogP0.98
TPSA114.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(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
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(4-iodophenoxy)oxane-3,4,5-triol
CID 134846501
(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol
CID 175906999
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1S)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 14824006
(1R)-1-[(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 10905059

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol?
The IUPAC name of 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol (CID 167659954) is 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol.
What is the SMILES notation for 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol?
The canonical SMILES for 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol is CC1C(OCC(O)CN)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(O)C1O.
What is the InChIKey of 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol?
The InChIKey is WMJLMXYCDGIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO6Si/c1-18-23(29)24(30)22(33-25(18)31-16-19(28)15-27)17-32-34(26(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-25,28-30H,15-17,27H2,1-4H3.
What are the key properties of 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol?
6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol has a molecular weight of 489.69 g/mol, XLogP of 0.98, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-hydroxypropoxy)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxane-3,4-diol is sourced from PubChem (CID 167659954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).