(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane

C16H24O5S — CID 134878521

IUPAC(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane
SMILESCOC[C@H]1O[C@H](Sc2ccccc2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H24O5S/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyAELOUDJCCKGPQN-IBEHDNSVSA-N
MW328.43 g/mol
LogP2.19
Rot. Bonds7

About (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane

(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane (PubChem CID 134878521) has the molecular formula C16H24O5S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane
PubChem CID134878521
Molecular FormulaC16H24O5S
Molecular Weight328.43 g/mol
Exact Mass328.13
IUPAC Name(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane
SMILESCOC[C@H]1O[C@H](Sc2ccccc2)[C@H](OC)[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C16H24O5S/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyAELOUDJCCKGPQN-IBEHDNSVSA-N
XLogP2.19
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane with MolForge

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Launch Full Analysis

Related Compounds

alpha-D-Glucopyranoside, phenyl 1-thio-, tetraacetate
CID 279081
phenyl thio-beta-D-galactopyranoside
CID 2802071
Npc265687
CID 6364823
beta-D-Glucopyranose, 1-deoxy-1-(phenylsulfonyl)-, tetraacetate
CID 2728906
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
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane?
The IUPAC name of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane (CID 134878521) is (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane is COC[C@H]1O[C@H](Sc2ccccc2)[C@H](OC)[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane?
The InChIKey is AELOUDJCCKGPQN-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H24O5S/c1-17-10-12-13(18-2)14(19-3)15(20-4)16(21-12)22-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane?
(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane has a molecular weight of 328.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-3,4,5-trimethoxy-2-(methoxymethyl)-6-phenylsulfanyloxane is sourced from PubChem (CID 134878521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).