(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol

C27H30O9S2 — CID 20653471

IUPAC(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@](O)(S(C)(=O)=O)[C@]1(O)S(C)(=O)=O
InChIInChI=1S/C27H30O9S2/c1-34-24-27(29,38(3,32)33)26(28,37(2,30)31)23(36-24)19-35-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-24,28-29H,19H2,1-3H3/t23-,24+,26-,27-/m1/s1
InChIKeyOCPLZCQVCVIUKM-NLXKVGEISA-N
MW562.66 g/mol
LogP1.83
Rot. Bonds9

About (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol

(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol (PubChem CID 20653471) has the molecular formula C27H30O9S2 and a molecular weight of 562.66 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol
PubChem CID20653471
Molecular FormulaC27H30O9S2
Molecular Weight562.66 g/mol
Exact Mass562.13
IUPAC Name(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@](O)(S(C)(=O)=O)[C@]1(O)S(C)(=O)=O
InChIInChI=1S/C27H30O9S2/c1-34-24-27(29,38(3,32)33)26(28,37(2,30)31)23(36-24)19-35-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-24,28-29H,19H2,1-3H3/t23-,24+,26-,27-/m1/s1
InChIKeyOCPLZCQVCVIUKM-NLXKVGEISA-N
XLogP1.83
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.66
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol
CID 10973627
2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 618218
(2S,3R,4S,5R)-2-methoxy-5-(trityloxymethyl)oxolane-3,4-diol
CID 70409526
(2R,3R)-2-(iodomethyl)-2-methyl-3-(trityloxymethyl)oxirane
CID 102467326
[(1R,2R,4R,5R)-1,5-dihydroxy-4-methoxy-3-oxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
CID 22887290
(2S,3R,4R,5S,6S)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 7332588
(2R,3R,4S,5R,6R)-2-methoxy-6-(trityloxymethyl)oxane-3,4,5-triol
CID 21139713
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021
(2R,3S,4R,6S)-6-methoxy-2-(trityloxymethyl)oxane-3,4-diol
CID 11811858
[(2S,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-(trityloxymethyl)oxan-4-yl] 4-methylbenzenesulfonate
CID 165342375
(1S,2S,4R,5R)-2-(2,4-diaminopyrimidin-5-yl)-6,6-dimethyl-4-(trityloxymethyl)-3-oxabicyclo[3.1.0]hexane-1,5-diol
CID 21356476

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol (CID 20653471) is (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@](O)(S(C)(=O)=O)[C@]1(O)S(C)(=O)=O.
What is the InChIKey of (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol?
The InChIKey is OCPLZCQVCVIUKM-NLXKVGEISA-N. The full InChI is InChI=1S/C27H30O9S2/c1-34-24-27(29,38(3,32)33)26(28,37(2,30)31)23(36-24)19-35-25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-24,28-29H,19H2,1-3H3/t23-,24+,26-,27-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol?
(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol has a molecular weight of 562.66 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 20653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).