(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

C22H31NO3Si — CID 67707376

IUPAC(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO3Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-21-20(24)14-17(15-23)26-21/h4-13,17,20-21,24H,14-16,23H2,1-3H3/t17-,20-,21+/m0/s1
InChIKeyCVROWVTVTXXBBK-DZFGPLHGSA-N
MW385.58 g/mol
LogP2.04
Rot. Bonds6

About (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 67707376) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID67707376
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CN)C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO3Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-21-20(24)14-17(15-23)26-21/h4-13,17,20-21,24H,14-16,23H2,1-3H3/t17-,20-,21+/m0/s1
InChIKeyCVROWVTVTXXBBK-DZFGPLHGSA-N
XLogP2.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(4R,5R)-5-[(1S)-1-amino-2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 56926124
1-amino-3-[(4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
CID 57386214
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
2-[(2R,4R)-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethanamine
CID 59733980
2,5-Anhydro-6-azido-4,6-dideoxy-1-O-[(1,1-dimethylethyl)diphenylsilyl]-D-arabino-hexitol
CID 86750351
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 141528920
(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-amine
CID 142544481
(2S,3R,4R,5R)-1-amino-6-[tert-butyl(diphenyl)silyl]oxyhexane-2,3,4,5-tetrol
CID 145755280
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-amine
CID 151238685
(3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-amine
CID 151238686
5-[[Tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-amine
CID 153444504
[(2S,5R)-5-aminooxan-2-yl]methanol;tert-butyl(diphenyl)silane
CID 161435631

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (CID 67707376) is (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is CC(C)(C)[Si](OC[C@H]1O[C@H](CN)C[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is CVROWVTVTXXBBK-DZFGPLHGSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-22(2,3)27(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-21-20(24)14-17(15-23)26-21/h4-13,17,20-21,24H,14-16,23H2,1-3H3/t17-,20-,21+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
(2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 385.58 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 67707376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).