(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane

C33H32O4Se — CID 135050696

IUPAC(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane
SMILESC=C1O[C@H]([Se]c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H32O4Se/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,30-33H,1,22-24H2/t30-,31+,32-,33-/m1/s1
InChIKeyPUWMSIKYXLAAHX-VBWFMVIDSA-N
MW571.58 g/mol
LogP5.64
Rot. Bonds11

About (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane

(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane (PubChem CID 135050696) has the molecular formula C33H32O4Se and a molecular weight of 571.58 g/mol. Its IUPAC name is (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane.

Molecular Properties

Compound Name(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane
PubChem CID135050696
Molecular FormulaC33H32O4Se
Molecular Weight571.58 g/mol
Exact Mass572.15
IUPAC Name(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane
SMILESC=C1O[C@H]([Se]c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H32O4Se/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,30-33H,1,22-24H2/t30-,31+,32-,33-/m1/s1
InChIKeyPUWMSIKYXLAAHX-VBWFMVIDSA-N
XLogP5.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.58
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4R,5S)-2-ethenyl-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 101055256
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4-phenylmethoxy-6-phenylselanyloxane-3,5-diol
CID 11004110
(2S,3R,4S,5S)-2-methoxy-4,5-bis(methoxymethoxy)-6-methylidene-3-phenylmethoxyoxane
CID 10247548
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxan-2-yl]methyl acetate
CID 16754803
(2S,3R,4S,5S)-5-[(2-iodophenyl)methoxy]-2-methoxy-6-methylidene-3,4-bis(phenylmethoxy)oxane
CID 15331362
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
(3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxane-2-thione
CID 25034462
(3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-one
CID 164662534
(2S,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4-methoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexyl]oxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 135050697

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane?
The IUPAC name of (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane (CID 135050696) is (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane.
What is the SMILES notation for (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane?
The canonical SMILES for (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane is C=C1O[C@H]([Se]c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane?
The InChIKey is PUWMSIKYXLAAHX-VBWFMVIDSA-N. The full InChI is InChI=1S/C33H32O4Se/c1-25-30(34-22-26-14-6-2-7-15-26)31(35-23-27-16-8-3-9-17-27)32(36-24-28-18-10-4-11-19-28)33(37-25)38-29-20-12-5-13-21-29/h2-21,30-33H,1,22-24H2/t30-,31+,32-,33-/m1/s1.
What are the key properties of (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane?
(3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane has a molecular weight of 571.58 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-2-methylidene-3,4,5-tris(phenylmethoxy)-6-phenylselanyloxane is sourced from PubChem (CID 135050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).