(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane

C14H20O4S — CID 11847238

IUPAC(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane
SMILESCO[C@@H]1[C@@H](OC)[C@H](Sc2ccccc2)OC[C@H]1OC
InChIInChI=1S/C14H20O4S/c1-15-11-9-18-14(13(17-3)12(11)16-2)19-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13-,14+/m1/s1
InChIKeyJMEGWEXWXSXPQS-RQJABVFESA-N
MW284.38 g/mol
LogP2.18
Rot. Bonds5

About (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane

(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane (PubChem CID 11847238) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane
PubChem CID11847238
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane
SMILESCO[C@@H]1[C@@H](OC)[C@H](Sc2ccccc2)OC[C@H]1OC
InChIInChI=1S/C14H20O4S/c1-15-11-9-18-14(13(17-3)12(11)16-2)19-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13-,14+/m1/s1
InChIKeyJMEGWEXWXSXPQS-RQJABVFESA-N
XLogP2.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane with MolForge

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

Launch Full Analysis

Related Compounds

alpha-D-Glucopyranoside, phenyl 1-thio-, tetraacetate
CID 279081
phenyl thio-beta-D-galactopyranoside
CID 2802071
Tetrahydro-2-(phenylthio)-2H-pyran
CID 89408
Npc265687
CID 6364823
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
[(2S,3S,4S,5S,6R)-4,5-diacetyloxy-2-(fluoromethyl)-6-phenylsulfanyloxan-3-yl] acetate
CID 101433829
Phenyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside
CID 10950254
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane?
The IUPAC name of (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane (CID 11847238) is (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane.
What is the SMILES notation for (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane?
The canonical SMILES for (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane is CO[C@@H]1[C@@H](OC)[C@H](Sc2ccccc2)OC[C@H]1OC.
What is the InChIKey of (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane?
The InChIKey is JMEGWEXWXSXPQS-RQJABVFESA-N. The full InChI is InChI=1S/C14H20O4S/c1-15-11-9-18-14(13(17-3)12(11)16-2)19-10-7-5-4-6-8-10/h4-8,11-14H,9H2,1-3H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane?
(2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane has a molecular weight of 284.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3,4,5-trimethoxy-2-phenylsulfanyloxane is sourced from PubChem (CID 11847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).