(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol

C6H15NO5Si — CID 154185512

IUPAC(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[SiH3]
InChIInChI=1S/C6H15NO5Si/c7-5-4(10)3(9)2(1-8)12-6(5,11)13/h2-5,8-11H,1,7H2,13H3/t2-,3-,4+,5-,6?/m1/s1
InChIKeyVWNVTRZOYQXENZ-GASJEMHNSA-N
MW209.27 g/mol
LogP-4.56
Rot. Bonds1

About (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol (PubChem CID 154185512) has the molecular formula C6H15NO5Si and a molecular weight of 209.27 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol
PubChem CID154185512
Molecular FormulaC6H15NO5Si
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[SiH3]
InChIInChI=1S/C6H15NO5Si/c7-5-4(10)3(9)2(1-8)12-6(5,11)13/h2-5,8-11H,1,7H2,13H3/t2-,3-,4+,5-,6?/m1/s1
InChIKeyVWNVTRZOYQXENZ-GASJEMHNSA-N
XLogP-4.56
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-4.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-(19-hydroxynonadecyl)oxane-2,4,5-triol
CID 141228102
1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
CID 141416489
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
1-[(2R,3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanone;phosphoric acid
CID 141008543
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
tert-butyl (3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 131739857
(2R,3S,4S,4aR,6S,7R,8R,8aS)-2,6-bis(hydroxymethyl)-2,3,4,6,7,8-hexahydropyrano[3,2-b]pyran-3,4,4a,7,8,8a-hexol
CID 11529514
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol?
The IUPAC name of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol (CID 154185512) is (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1(O)[SiH3].
What is the InChIKey of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol?
The InChIKey is VWNVTRZOYQXENZ-GASJEMHNSA-N. The full InChI is InChI=1S/C6H15NO5Si/c7-5-4(10)3(9)2(1-8)12-6(5,11)13/h2-5,8-11H,1,7H2,13H3/t2-,3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol?
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol has a molecular weight of 209.27 g/mol, XLogP of -4.56, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol is sourced from PubChem (CID 154185512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).