(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol

C30H60O5Si3 — CID 162416828

IUPAC(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C30H60O5Si3/c1-18-20-22-26(34-37(14,15)29(6,7)8)27(35-38(16,17)30(9,10)11)24(31)25(32-22)23(21-19-2)33-36(12,13)28(3,4)5/h2,18,22-27,31H,1,20-21H2,3-17H3/t22-,23-,24-,25-,26+,27+/m1/s1
InChIKeyOSPUSYOAGFOFAE-QJCWEMJFSA-N
MW585.06 g/mol
LogP7.89
Rot. Bonds10

About (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol

(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol (PubChem CID 162416828) has the molecular formula C30H60O5Si3 and a molecular weight of 585.06 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol
PubChem CID162416828
Molecular FormulaC30H60O5Si3
Molecular Weight585.06 g/mol
Exact Mass584.37
IUPAC Name(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
InChIInChI=1S/C30H60O5Si3/c1-18-20-22-26(34-37(14,15)29(6,7)8)27(35-38(16,17)30(9,10)11)24(31)25(32-22)23(21-19-2)33-36(12,13)28(3,4)5/h2,18,22-27,31H,1,20-21H2,3-17H3/t22-,23-,24-,25-,26+,27+/m1/s1
InChIKeyOSPUSYOAGFOFAE-QJCWEMJFSA-N
XLogP7.89
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.06
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol?
The IUPAC name of (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol (CID 162416828) is (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol?
The canonical SMILES for (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@H](CC=C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol?
The InChIKey is OSPUSYOAGFOFAE-QJCWEMJFSA-N. The full InChI is InChI=1S/C30H60O5Si3/c1-18-20-22-26(34-37(14,15)29(6,7)8)27(35-38(16,17)30(9,10)11)24(31)25(32-22)23(21-19-2)33-36(12,13)28(3,4)5/h2,18,22-27,31H,1,20-21H2,3-17H3/t22-,23-,24-,25-,26+,27+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol?
(2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol has a molecular weight of 585.06 g/mol, XLogP of 7.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-6-prop-2-enyloxan-3-ol is sourced from PubChem (CID 162416828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).