(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol

C16H36O8Si3 — CID 67842010

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C
InChIInChI=1S/C16H36O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-16-15(20)14(19)13(18)12(11-17)22-16/h8,10,12-20H,9,11H2,1-7H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyDIEHINONVBBFKL-IBEHDNSVSA-N
MW440.71 g/mol
LogP0.67
Rot. Bonds9

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol (PubChem CID 67842010) has the molecular formula C16H36O8Si3 and a molecular weight of 440.71 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol
PubChem CID67842010
Molecular FormulaC16H36O8Si3
Molecular Weight440.71 g/mol
Exact Mass440.17
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C
InChIInChI=1S/C16H36O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-16-15(20)14(19)13(18)12(11-17)22-16/h8,10,12-20H,9,11H2,1-7H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyDIEHINONVBBFKL-IBEHDNSVSA-N
XLogP0.67
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol (CID 67842010) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol is C[Si](C)(C)O[Si](C)(C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol?
The InChIKey is DIEHINONVBBFKL-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H36O8Si3/c1-25(2,3)23-27(7,24-26(4,5)6)10-8-9-21-16-15(20)14(19)13(18)12(11-17)22-16/h8,10,12-20H,9,11H2,1-7H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol has a molecular weight of 440.71 g/mol, XLogP of 0.67, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 67842010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).