[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate

C17H32O6Si — CID 24879702

IUPAC[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
SMILESC=CCO[C@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-9-10-20-16-15(23-24(7,8)17(4,5)6)13(19)14(11(2)21-16)22-12(3)18/h9,11,13-16,19H,1,10H2,2-8H3/t11-,13+,14+,15-,16+/m1/s1
InChIKeyYDZDRLRZOSCYNO-CHUNWDLHSA-N
MW360.52 g/mol
LogP2.62
Rot. Bonds6

About [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate

[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate (PubChem CID 24879702) has the molecular formula C17H32O6Si and a molecular weight of 360.52 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
PubChem CID24879702
Molecular FormulaC17H32O6Si
Molecular Weight360.52 g/mol
Exact Mass360.20
IUPAC Name[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
SMILESC=CCO[C@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O6Si/c1-9-10-20-16-15(23-24(7,8)17(4,5)6)13(19)14(11(2)21-16)22-12(3)18/h9,11,13-16,19H,1,10H2,2-8H3/t11-,13+,14+,15-,16+/m1/s1
InChIKeyYDZDRLRZOSCYNO-CHUNWDLHSA-N
XLogP2.62
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134835383
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyoxane-3,4,5-triol
CID 134852829
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate
CID 134867143
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134867144
[(2R,3R,4S,5R,6S)-5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-prop-2-enoxyoxan-4-yl] acetate
CID 134930697
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 135079920
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
(2R,3S,4S,5S,6S)-5-(((R)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177093
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-5-(((R)-hex-1-en-3-yl)oxy)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177095
(2R,3R,4S,5S,6S)-4-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,5-diol
CID 166177112
(2R,3S,4S,5S,6S)-5-(((S)-but-3-en-2-yl)oxy)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-methoxytetrahydro-2H-pyran-3,4-diol
CID 166177122
[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate
CID 10037543

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate (CID 24879702) is [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate is C=CCO[C@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate?
The InChIKey is YDZDRLRZOSCYNO-CHUNWDLHSA-N. The full InChI is InChI=1S/C17H32O6Si/c1-9-10-20-16-15(23-24(7,8)17(4,5)6)13(19)14(11(2)21-16)22-12(3)18/h9,11,13-16,19H,1,10H2,2-8H3/t11-,13+,14+,15-,16+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate?
[(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate has a molecular weight of 360.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-methyl-6-prop-2-enoxyoxan-3-yl] acetate is sourced from PubChem (CID 24879702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).