(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

C28H28F2O5 — CID 162538393

IUPAC(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1OC(=C(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H28F2O5/c1-31-28-26(34-19-22-15-9-4-10-16-22)24(33-18-21-13-7-3-8-14-21)23(25(35-28)27(29)30)32-17-20-11-5-2-6-12-20/h2-16,23-24,26,28H,17-19H2,1H3/t23-,24-,26+,28-/m0/s1
InChIKeySILZQYJHWIQILT-XWZVPRMZSA-N
MW482.52 g/mol
LogP5.85
Rot. Bonds10

About (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane

(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 162538393) has the molecular formula C28H28F2O5 and a molecular weight of 482.52 g/mol. Its IUPAC name is (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
PubChem CID162538393
Molecular FormulaC28H28F2O5
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCO[C@H]1OC(=C(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C28H28F2O5/c1-31-28-26(34-19-22-15-9-4-10-16-22)24(33-18-21-13-7-3-8-14-21)23(25(35-28)27(29)30)32-17-20-11-5-2-6-12-20/h2-16,23-24,26,28H,17-19H2,1H3/t23-,24-,26+,28-/m0/s1
InChIKeySILZQYJHWIQILT-XWZVPRMZSA-N
XLogP5.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl acetate
CID 73106838
[(E)-[(3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-ylidene]methyl] acetate
CID 10839231
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
(3R,4S,5R,6R)-2-(difluoromethylidene)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxane;(3R,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-one
CID 123693532
(2S,3R,4S,5S)-5-[(2-iodophenyl)methoxy]-2-methoxy-6-methylidene-3,4-bis(phenylmethoxy)oxane
CID 15331362
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2S,3R,4R,5R,6R)-2-methoxy-6-[[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10581132

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane (CID 162538393) is (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is CO[C@H]1OC(=C(F)F)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is SILZQYJHWIQILT-XWZVPRMZSA-N. The full InChI is InChI=1S/C28H28F2O5/c1-31-28-26(34-19-22-15-9-4-10-16-22)24(33-18-21-13-7-3-8-14-21)23(25(35-28)27(29)30)32-17-20-11-5-2-6-12-20/h2-16,23-24,26,28H,17-19H2,1H3/t23-,24-,26+,28-/m0/s1.
What are the key properties of (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane?
(3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 482.52 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6S)-2-(difluoromethylidene)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 162538393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).