(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol

C22H46O13Si3 — CID 67842012

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCOC[C@@]1(O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C
InChIInChI=1S/C22H46O13Si3/c1-36(2,3)34-38(7,35-37(4,5)6)10-8-9-30-13-22(29)20(28)17(25)15(33-22)12-31-21-19(27)18(26)16(24)14(11-23)32-21/h8,10,14-21,23-29H,9,11-13H2,1-7H3/t14-,15-,16-,17-,18+,19-,20+,21+,22-/m1/s1
InChIKeyXDYQFYOLNQSLFD-QFSLIYOSSA-N
MW602.86 g/mol
LogP-1.50
Rot. Bonds13

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 67842012) has the molecular formula C22H46O13Si3 and a molecular weight of 602.86 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID67842012
Molecular FormulaC22H46O13Si3
Molecular Weight602.86 g/mol
Exact Mass602.22
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCOC[C@@]1(O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C
InChIInChI=1S/C22H46O13Si3/c1-36(2,3)34-38(7,35-37(4,5)6)10-8-9-30-13-22(29)20(28)17(25)15(33-22)12-31-21-19(27)18(26)16(24)14(11-23)32-21/h8,10,14-21,23-29H,9,11-13H2,1-7H3/t14-,15-,16-,17-,18+,19-,20+,21+,22-/m1/s1
InChIKeyXDYQFYOLNQSLFD-QFSLIYOSSA-N
XLogP-1.50
TPSA196.99 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500602.86
LogP ≤ 5-1.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol (CID 67842012) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol is C[Si](C)(C)O[Si](C)(C=CCOC[C@@]1(O)O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O)O[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is XDYQFYOLNQSLFD-QFSLIYOSSA-N. The full InChI is InChI=1S/C22H46O13Si3/c1-36(2,3)34-38(7,35-37(4,5)6)10-8-9-30-13-22(29)20(28)17(25)15(33-22)12-31-21-19(27)18(26)16(24)14(11-23)32-21/h8,10,14-21,23-29H,9,11-13H2,1-7H3/t14-,15-,16-,17-,18+,19-,20+,21+,22-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 602.86 g/mol, XLogP of -1.50, 13 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 67842012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).