(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol

C29H32Cl2O6 — CID 10973627

IUPAC(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](O)(C(Cl)Cl)[C@H](OC)[C@H]1OC
InChIInChI=1S/C29H32Cl2O6/c1-33-24-25(34-2)28(32,27(30)31)23(37-26(24)35-3)19-36-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,32H,19H2,1-3H3/t23-,24-,25-,26+,28-/m1/s1
InChIKeyAYSSYMGVHTYZNI-FCSZGESBSA-N
MW547.48 g/mol
LogP4.93
Rot. Bonds10

About (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol

(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol (PubChem CID 10973627) has the molecular formula C29H32Cl2O6 and a molecular weight of 547.48 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol
PubChem CID10973627
Molecular FormulaC29H32Cl2O6
Molecular Weight547.48 g/mol
Exact Mass546.16
IUPAC Name(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol
SMILESCO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](O)(C(Cl)Cl)[C@H](OC)[C@H]1OC
InChIInChI=1S/C29H32Cl2O6/c1-33-24-25(34-2)28(32,27(30)31)23(37-26(24)35-3)19-36-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,32H,19H2,1-3H3/t23-,24-,25-,26+,28-/m1/s1
InChIKeyAYSSYMGVHTYZNI-FCSZGESBSA-N
XLogP4.93
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275
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,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 54497199
(2R,3R,4S,5R)-2,3-dimethoxy-4-octadecoxy-5-(trityloxymethyl)oxolane
CID 13336188
(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
(2S,3R,4R,5R)-2-methoxy-3,4-bis(methylsulfonyl)-5-(trityloxymethyl)oxolane-3,4-diol
CID 20653471
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 92853375
[(2R,3S,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171395870

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol?
The IUPAC name of (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol (CID 10973627) is (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol?
The canonical SMILES for (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol is CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@](O)(C(Cl)Cl)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol?
The InChIKey is AYSSYMGVHTYZNI-FCSZGESBSA-N. The full InChI is InChI=1S/C29H32Cl2O6/c1-33-24-25(34-2)28(32,27(30)31)23(37-26(24)35-3)19-36-29(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23-27,32H,19H2,1-3H3/t23-,24-,25-,26+,28-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol?
(2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol has a molecular weight of 547.48 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-3-(dichloromethyl)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-ol is sourced from PubChem (CID 10973627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).