(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

C23H45NO15Si — CID 101011057

IUPAC(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)C(O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H45NO15Si/c1-40(2,3)5-4-34-22-17(32)15(30)20(10(7-26)36-22)39-23-18(33)16(31)19(11(8-27)37-23)38-21-12(24)14(29)13(28)9(6-25)35-21/h9-23,25-33H,4-8,24H2,1-3H3/t9-,10-,11-,12-,13+,14-,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1
InChIKeyXWGDZJGWOOAEAJ-YJSWRKASSA-N
MW603.69 g/mol
LogP-5.24
Rot. Bonds11

About (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 101011057) has the molecular formula C23H45NO15Si and a molecular weight of 603.69 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID101011057
Molecular FormulaC23H45NO15Si
Molecular Weight603.69 g/mol
Exact Mass603.26
IUPAC Name(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
SMILESC[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)C(O)[C@H]2O)[C@H](O)[C@H]1O
InChIInChI=1S/C23H45NO15Si/c1-40(2,3)5-4-34-22-17(32)15(30)20(10(7-26)36-22)39-23-18(33)16(31)19(11(8-27)37-23)38-21-12(24)14(29)13(28)9(6-25)35-21/h9-23,25-33H,4-8,24H2,1-3H3/t9-,10-,11-,12-,13+,14-,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1
InChIKeyXWGDZJGWOOAEAJ-YJSWRKASSA-N
XLogP-5.24
TPSA263.47 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms40
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 5-5.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CID 101011057) is (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is C[Si](C)(C)CCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3N)C(O)[C@H]2O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is XWGDZJGWOOAEAJ-YJSWRKASSA-N. The full InChI is InChI=1S/C23H45NO15Si/c1-40(2,3)5-4-34-22-17(32)15(30)20(10(7-26)36-22)39-23-18(33)16(31)19(11(8-27)37-23)38-21-12(24)14(29)13(28)9(6-25)35-21/h9-23,25-33H,4-8,24H2,1-3H3/t9-,10-,11-,12-,13+,14-,15-,16?,17-,18-,19+,20-,21-,22-,23+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 603.69 g/mol, XLogP of -5.24, 11 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-5-amino-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 101011057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).