(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane

C73H72O12S — CID 11804378

IUPAC(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
SMILESC=C1O[C@@H](Sc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@H]1OC(=C)[C@@H](O[C@H]2OC(=C)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C73H72O12S/c1-51-62(74-44-54-28-12-4-13-29-54)65(75-45-55-30-14-5-15-31-55)68(78-48-58-36-20-8-21-37-58)71(81-51)84-63-52(2)82-72(69(79-49-59-38-22-9-23-39-59)66(63)76-46-56-32-16-6-17-33-56)85-64-53(3)83-73(86-61-42-26-11-27-43-61)70(80-50-60-40-24-10-25-41-60)67(64)77-47-57-34-18-7-19-35-57/h4-43,62-73H,1-3,44-50H2/t62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73+/m1/s1
InChIKeyRSTFXVWOASZZCA-MUXZDNHWSA-N
MW1173.43 g/mol
LogP14.26
Rot. Bonds27

About (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane

(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane (PubChem CID 11804378) has the molecular formula C73H72O12S and a molecular weight of 1173.43 g/mol. Its IUPAC name is (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane.

Molecular Properties

Compound Name(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
PubChem CID11804378
Molecular FormulaC73H72O12S
Molecular Weight1173.43 g/mol
Exact Mass1172.47
IUPAC Name(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane
SMILESC=C1O[C@@H](Sc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@H]1OC(=C)[C@@H](O[C@H]2OC(=C)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C73H72O12S/c1-51-62(74-44-54-28-12-4-13-29-54)65(75-45-55-30-14-5-15-31-55)68(78-48-58-36-20-8-21-37-58)71(81-51)84-63-52(2)82-72(69(79-49-59-38-22-9-23-39-59)66(63)76-46-56-32-16-6-17-33-56)85-64-53(3)83-73(86-61-42-26-11-27-43-61)70(80-50-60-40-24-10-25-41-60)67(64)77-47-57-34-18-7-19-35-57/h4-43,62-73H,1-3,44-50H2/t62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73+/m1/s1
InChIKeyRSTFXVWOASZZCA-MUXZDNHWSA-N
XLogP14.26
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001173.43
LogP ≤ 514.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane with MolForge

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Related Compounds

beta-D-Glucopyranoside, phenyl 2,3,4,6-tetrakis-O-(phenylmethyl)-1-thio-
CID 11104158
(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(p-tolylthio)tetrahydro-2H-pyran
CID 11071610
Phenyl 2,3,4-Tri-O-benzyl-1-thio-beta-L-fucopyranoside
CID 10875084
benzyl 2,3,4,6-tetra-O-benzyl-D-glucopyranoside
CID 14283738
Benzylated cycloisomaltotetraose
CID 16131353
Alpha-d-mannopyranoside, phenyl 2,3,4,6-tetrakis-o-(phenylmethyl)-1-thio-
CID 563133
(2R,3S,4S,5R,6S)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran
CID 11104159
(2S,3S,4S,5S,6R)-2-(fluoromethyl)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxane
CID 66728357
2,3,4,6-tetra-O-benzylgalactopyranosyl phenyl sulfoxide
CID 3081659
Phenyl bzac4Glu
CID 16131344
(2R,3S,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-phenylsulfanyloxane
CID 134936710
2-Ethylsulfanyl-6-(fluoromethoxy)-3,4,5-tris(phenylmethoxy)oxane
CID 164680044

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The IUPAC name of (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane (CID 11804378) is (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane.
What is the SMILES notation for (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The canonical SMILES for (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane is C=C1O[C@@H](Sc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@H]1OC(=C)[C@@H](O[C@H]2OC(=C)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
The InChIKey is RSTFXVWOASZZCA-MUXZDNHWSA-N. The full InChI is InChI=1S/C73H72O12S/c1-51-62(74-44-54-28-12-4-13-29-54)65(75-45-55-30-14-5-15-31-55)68(78-48-58-36-20-8-21-37-58)71(81-51)84-63-52(2)82-72(69(79-49-59-38-22-9-23-39-59)66(63)76-46-56-32-16-6-17-33-56)85-64-53(3)83-73(86-61-42-26-11-27-43-61)70(80-50-60-40-24-10-25-41-60)67(64)77-47-57-34-18-7-19-35-57/h4-43,62-73H,1-3,44-50H2/t62-,63-,64-,65+,66+,67+,68-,69-,70-,71-,72-,73+/m1/s1.
What are the key properties of (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane?
(3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane has a molecular weight of 1173.43 g/mol, XLogP of 14.26, 27 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6S)-2-methylidene-3-[(2S,3R,4S,5S)-6-methylidene-5-[(2S,3R,4S,5S)-6-methylidene-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxane is sourced from PubChem (CID 11804378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).