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

C17H38O8Si3 — CID 67842017

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C
InChIInChI=1S/C17H38O8Si3/c1-26(2,3)24-28(7,25-27(4,5)6)11-9-8-10-22-17-16(21)15(20)14(19)13(12-18)23-17/h9,11,13-21H,8,10,12H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyLGKQBEHQYNDNSM-NQNKBUKLSA-N
MW454.74 g/mol
LogP1.06
Rot. Bonds10

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol (PubChem CID 67842017) has the molecular formula C17H38O8Si3 and a molecular weight of 454.74 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
PubChem CID67842017
Molecular FormulaC17H38O8Si3
Molecular Weight454.74 g/mol
Exact Mass454.19
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)O[Si](C)(C=CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C
InChIInChI=1S/C17H38O8Si3/c1-26(2,3)24-28(7,25-27(4,5)6)11-9-8-10-22-17-16(21)15(20)14(19)13(12-18)23-17/h9,11,13-21H,8,10,12H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1
InChIKeyLGKQBEHQYNDNSM-NQNKBUKLSA-N
XLogP1.06
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.74
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol (CID 67842017) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol is C[Si](C)(C)O[Si](C)(C=CCCO[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-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol?
The InChIKey is LGKQBEHQYNDNSM-NQNKBUKLSA-N. The full InChI is InChI=1S/C17H38O8Si3/c1-26(2,3)24-28(7,25-27(4,5)6)11-9-8-10-22-17-16(21)15(20)14(19)13(12-18)23-17/h9,11,13-21H,8,10,12H2,1-7H3/t13-,14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol has a molecular weight of 454.74 g/mol, XLogP of 1.06, 10 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-[4-[methyl-bis(trimethylsilyloxy)silyl]but-3-enoxy]oxane-3,4,5-triol is sourced from PubChem (CID 67842017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).