[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol

C13H31NO5Si2 — CID 165180262

IUPAC[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N
InChIInChI=1S/C13H31NO5Si2/c1-16-13-10(14)12(19-21(5,6)7)11(9(8-15)17-13)18-20(2,3)4/h9-13,15H,8,14H2,1-7H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyVCFOBSLWZYHDLQ-UJPOAAIJSA-N
MW337.57 g/mol
LogP1.12
Rot. Bonds6

About [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol

[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol (PubChem CID 165180262) has the molecular formula C13H31NO5Si2 and a molecular weight of 337.57 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol
PubChem CID165180262
Molecular FormulaC13H31NO5Si2
Molecular Weight337.57 g/mol
Exact Mass337.17
IUPAC Name[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N
InChIInChI=1S/C13H31NO5Si2/c1-16-13-10(14)12(19-21(5,6)7)11(9(8-15)17-13)18-20(2,3)4/h9-13,15H,8,14H2,1-7H3/t9-,10-,11+,12-,13-/m1/s1
InChIKeyVCFOBSLWZYHDLQ-UJPOAAIJSA-N
XLogP1.12
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.57
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol with MolForge

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Related Compounds

[(3R,6R)-6-[(2R,5R)-6-(hydroxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]oxy-3,4,5-tris(trimethylsilyloxy)oxan-2-yl]methanol
CID 135021954
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
(2R,3S,4S,5S,6R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 54346230
(2R,3R,4R,5R)-5-amino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 13135344
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 90724646
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91407540
(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6R)-5-amino-6-[(4R,5S)-5-amino-6-[(3R,5R,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91278004
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
2-[5-amino-6-[5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-3-methyloxan-4-ol
CID 58030369
[3,4,5-tris(trimethylsilyloxy)-6-[4,5,6-tris(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methanol
CID 170452869
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol (CID 165180262) is [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol is CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1N.
What is the InChIKey of [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol?
The InChIKey is VCFOBSLWZYHDLQ-UJPOAAIJSA-N. The full InChI is InChI=1S/C13H31NO5Si2/c1-16-13-10(14)12(19-21(5,6)7)11(9(8-15)17-13)18-20(2,3)4/h9-13,15H,8,14H2,1-7H3/t9-,10-,11+,12-,13-/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol?
[(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol has a molecular weight of 337.57 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-5-amino-6-methoxy-3,4-bis(trimethylsilyloxy)oxan-2-yl]methanol is sourced from PubChem (CID 165180262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).