(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol

C24H35NO5Si — CID 175906999

IUPAC(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol
SMILESCOC(OC)[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N)[C@H]1O
InChIInChI=1S/C24H35NO5Si/c1-24(2,3)31(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-20(25)21(26)22(30-19)23(27-4)28-5/h6-15,19-23,26H,16,25H2,1-5H3/t19-,20-,21+,22+/m0/s1
InChIKeyBZHMFGABYTYBTG-FNAHDJPLSA-N
MW445.63 g/mol
LogP1.64
Rot. Bonds8

About (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol

(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol (PubChem CID 175906999) has the molecular formula C24H35NO5Si and a molecular weight of 445.63 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol
PubChem CID175906999
Molecular FormulaC24H35NO5Si
Molecular Weight445.63 g/mol
Exact Mass445.23
IUPAC Name(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol
SMILESCOC(OC)[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N)[C@H]1O
InChIInChI=1S/C24H35NO5Si/c1-24(2,3)31(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-20(25)21(26)22(30-19)23(27-4)28-5/h6-15,19-23,26H,16,25H2,1-5H3/t19-,20-,21+,22+/m0/s1
InChIKeyBZHMFGABYTYBTG-FNAHDJPLSA-N
XLogP1.64
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(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
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
(2S,3R,4R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-3,5-dimethyloxan-4-ol
CID 10938882
(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
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 18647944
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol (CID 175906999) is (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol is COC(OC)[C@@H]1O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](N)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol?
The InChIKey is BZHMFGABYTYBTG-FNAHDJPLSA-N. The full InChI is InChI=1S/C24H35NO5Si/c1-24(2,3)31(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19-20(25)21(26)22(30-19)23(27-4)28-5/h6-15,19-23,26H,16,25H2,1-5H3/t19-,20-,21+,22+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol?
(2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol has a molecular weight of 445.63 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-amino-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(dimethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 175906999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).