[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate

C24H34O11Si — CID 11318473

IUPAC[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C24H34O11Si/c1-14(25)29-13-19-20(34-23(35-36(5,6)7)18-11-9-8-10-12-18)21(30-15(2)26)22(31-16(3)27)24(33-19)32-17(4)28/h8-12,19-24H,13H2,1-7H3/t19-,20-,21+,22-,23?,24+/m1/s1
InChIKeyPFXKQGLRIPXTKF-IHRCBTOASA-N
MW526.61 g/mol
LogP2.64
Rot. Bonds10

About [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate (PubChem CID 11318473) has the molecular formula C24H34O11Si and a molecular weight of 526.61 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate
PubChem CID11318473
Molecular FormulaC24H34O11Si
Molecular Weight526.61 g/mol
Exact Mass526.19
IUPAC Name[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C24H34O11Si/c1-14(25)29-13-19-20(34-23(35-36(5,6)7)18-11-9-8-10-12-18)21(30-15(2)26)22(31-16(3)27)24(33-19)32-17(4)28/h8-12,19-24H,13H2,1-7H3/t19-,20-,21+,22-,23?,24+/m1/s1
InChIKeyPFXKQGLRIPXTKF-IHRCBTOASA-N
XLogP2.64
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,4,5-Triacetyloxy-6-phenyloxan-2-yl)methyl acetate
CID 3453887
methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
CID 154573933
Methyl 2,3-di-O-acetyl-4,6-O-benzylidenehexopyranoside
CID 234981
(1R,6E,13R,15S,16R,17S)-15-octoxy-16,17-bis(phenylmethoxy)-2,11,14-trioxabicyclo[11.4.0]heptadec-6-ene-3,10-dione
CID 46933696
(2R,4aR,6S,7S,8R,8aR)-6-allyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954357
(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-yl acetate
CID 562057
(2S,3R,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 68654071
[(2R,3R,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 156015102
Benzyl 2,3,4,6-Tetra-O-acetyl-beta-D-Glucopyranoside
CID 2728829
1-Propanol,2-[(1-oxopropoxy)methoxy]-3-(phenylmethoxy)-,propanoate
CID 9862041
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 10481313
Man2Ac3Ac4Ac6Ac(a1-3)Man2Ac4Ac6Ac(a1-3)Man2Ac4Ac6Ac(a1-3)Man2Ac4Ac6Ac(a1-2)Man3Ac4Ac6Ac(a)-O-Bn
CID 11693877

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate (CID 11318473) is [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate?
The InChIKey is PFXKQGLRIPXTKF-IHRCBTOASA-N. The full InChI is InChI=1S/C24H34O11Si/c1-14(25)29-13-19-20(34-23(35-36(5,6)7)18-11-9-8-10-12-18)21(30-15(2)26)22(31-16(3)27)24(33-19)32-17(4)28/h8-12,19-24H,13H2,1-7H3/t19-,20-,21+,22-,23?,24+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate has a molecular weight of 526.61 g/mol, XLogP of 2.64, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-3-[phenyl(trimethylsilyloxy)methoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 11318473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).