(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one

C32H49NO6Si — CID 51051466

IUPAC(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one
SMILESCc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H]3CC(=O)C[C@H](COCc4ccccc4)O3)O2)co1
InChIInChI=1S/C32H49NO6Si/c1-21(2)40(22(3)4,23(5)6)39-29-16-28(38-32(17-29)31-20-36-24(7)33-31)15-27-13-26(34)14-30(37-27)19-35-18-25-11-9-8-10-12-25/h8-12,20-23,27-30,32H,13-19H2,1-7H3/t27-,28-,29+,30-,32-/m1/s1
InChIKeyMKMCGGCUNJRCIR-LTGXLJKXSA-N
MW571.83 g/mol
LogP7.49
Rot. Bonds12

About (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one

(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one (PubChem CID 51051466) has the molecular formula C32H49NO6Si and a molecular weight of 571.83 g/mol. Its IUPAC name is (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one.

Molecular Properties

Compound Name(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one
PubChem CID51051466
Molecular FormulaC32H49NO6Si
Molecular Weight571.83 g/mol
Exact Mass571.33
IUPAC Name(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one
SMILESCc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H]3CC(=O)C[C@H](COCc4ccccc4)O3)O2)co1
InChIInChI=1S/C32H49NO6Si/c1-21(2)40(22(3)4,23(5)6)39-29-16-28(38-32(17-29)31-20-36-24(7)33-31)15-27-13-26(34)14-30(37-27)19-35-18-25-11-9-8-10-12-25/h8-12,20-23,27-30,32H,13-19H2,1-7H3/t27-,28-,29+,30-,32-/m1/s1
InChIKeyMKMCGGCUNJRCIR-LTGXLJKXSA-N
XLogP7.49
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.83
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[2-[(2S,4R,6R)-6-(phenylmethoxymethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetyl]-1,3-oxazolidin-2-one
CID 57343299
2-phenylmethoxy-4-tri(propan-2-yl)silyloxycyclopentan-1-ol
CID 169088344
3-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-one
CID 15893535
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(phenylmethoxymethyl)-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-yl]oxy-tri(propan-2-yl)silane
CID 102374439
3-(phenylmethoxymethyl)cyclobutan-1-one
CID 11819850
(5S)-5-(phenylmethoxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 13339835
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one?
The IUPAC name of (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one (CID 51051466) is (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one.
What is the SMILES notation for (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one?
The canonical SMILES for (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one is Cc1nc([C@H]2C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C[C@H]3CC(=O)C[C@H](COCc4ccccc4)O3)O2)co1.
What is the InChIKey of (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one?
The InChIKey is MKMCGGCUNJRCIR-LTGXLJKXSA-N. The full InChI is InChI=1S/C32H49NO6Si/c1-21(2)40(22(3)4,23(5)6)39-29-16-28(38-32(17-29)31-20-36-24(7)33-31)15-27-13-26(34)14-30(37-27)19-35-18-25-11-9-8-10-12-25/h8-12,20-23,27-30,32H,13-19H2,1-7H3/t27-,28-,29+,30-,32-/m1/s1.
What are the key properties of (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one?
(2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one has a molecular weight of 571.83 g/mol, XLogP of 7.49, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[[(2R,4S,6R)-6-(2-methyl-1,3-oxazol-4-yl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]methyl]-6-(phenylmethoxymethyl)oxan-4-one is sourced from PubChem (CID 51051466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).