(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane

C34H56O5S — CID 121288480

IUPAC(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
SMILESCCC1O[C@H](OCC2O[C@H](Sc3ccccc3)C(C)[C@@H](O[C@H]3O[C@@H](CC)[C@@H](C)C(C)C3C)[C@@H]2C)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C34H56O5S/c1-11-28-21(5)19(3)23(7)32(36-28)35-18-30-25(9)31(26(10)34(38-30)40-27-16-14-13-15-17-27)39-33-24(8)20(4)22(6)29(12-2)37-33/h13-17,19-26,28-34H,11-12,18H2,1-10H3/t19-,20?,21-,22-,23?,24?,25+,26?,28?,29-,30?,31-,32-,33+,34+/m0/s1
InChIKeyAODHXFYYSLVJEM-SKPRNRHZSA-N
MW576.88 g/mol
LogP8.26
Rot. Bonds9

About (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane

(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane (PubChem CID 121288480) has the molecular formula C34H56O5S and a molecular weight of 576.88 g/mol. Its IUPAC name is (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
PubChem CID121288480
Molecular FormulaC34H56O5S
Molecular Weight576.88 g/mol
Exact Mass576.38
IUPAC Name(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane
SMILESCCC1O[C@H](OCC2O[C@H](Sc3ccccc3)C(C)[C@@H](O[C@H]3O[C@@H](CC)[C@@H](C)C(C)C3C)[C@@H]2C)C(C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C34H56O5S/c1-11-28-21(5)19(3)23(7)32(36-28)35-18-30-25(9)31(26(10)34(38-30)40-27-16-14-13-15-17-27)39-33-24(8)20(4)22(6)29(12-2)37-33/h13-17,19-26,28-34H,11-12,18H2,1-10H3/t19-,20?,21-,22-,23?,24?,25+,26?,28?,29-,30?,31-,32-,33+,34+/m0/s1
InChIKeyAODHXFYYSLVJEM-SKPRNRHZSA-N
XLogP8.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.88
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The IUPAC name of (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane (CID 121288480) is (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane.
What is the SMILES notation for (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The canonical SMILES for (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane is CCC1O[C@H](OCC2O[C@H](Sc3ccccc3)C(C)[C@@H](O[C@H]3O[C@@H](CC)[C@@H](C)C(C)C3C)[C@@H]2C)C(C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
The InChIKey is AODHXFYYSLVJEM-SKPRNRHZSA-N. The full InChI is InChI=1S/C34H56O5S/c1-11-28-21(5)19(3)23(7)32(36-28)35-18-30-25(9)31(26(10)34(38-30)40-27-16-14-13-15-17-27)39-33-24(8)20(4)22(6)29(12-2)37-33/h13-17,19-26,28-34H,11-12,18H2,1-10H3/t19-,20?,21-,22-,23?,24?,25+,26?,28?,29-,30?,31-,32-,33+,34+/m0/s1.
What are the key properties of (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane?
(3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane has a molecular weight of 576.88 g/mol, XLogP of 8.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-2-ethyl-6-[[(3S,4S,6R)-4-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]methoxy]-3,4,5-trimethyloxane is sourced from PubChem (CID 121288480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).