(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C37H39ClO6 — CID 67563296

IUPAC(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=CC(Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H39ClO6/c1-2-33(38)44-37-36(42-26-31-21-13-6-14-22-31)35(41-25-30-19-11-5-12-20-30)34(40-24-29-17-9-4-10-18-29)32(43-37)27-39-23-28-15-7-3-8-16-28/h2-22,32-37H,1,23-27H2/t32-,33?,34-,35+,36-,37-/m1/s1
InChIKeyAHIGPSLHMJMIAM-HTZZROOISA-N
MW615.17 g/mol
LogP7.45
Rot. Bonds16

About (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 67563296) has the molecular formula C37H39ClO6 and a molecular weight of 615.17 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID67563296
Molecular FormulaC37H39ClO6
Molecular Weight615.17 g/mol
Exact Mass614.24
IUPAC Name(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESC=CC(Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H39ClO6/c1-2-33(38)44-37-36(42-26-31-21-13-6-14-22-31)35(41-25-30-19-11-5-12-20-30)34(40-24-29-17-9-4-10-18-29)32(43-37)27-39-23-28-15-7-3-8-16-28/h2-22,32-37H,1,23-27H2/t32-,33?,34-,35+,36-,37-/m1/s1
InChIKeyAHIGPSLHMJMIAM-HTZZROOISA-N
XLogP7.45
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.17
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602
(2S,3R,4S,5R,6R)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10963520
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propan-2-yloxyoxolane
CID 14702693
2,2,2-trichloro-1-[(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethanamine
CID 140553904
2,2,2-trichloro-1-[(2S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyethanamine
CID 147610051
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
1-[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropan-1-amine
CID 70142201
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 67563296) is (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is C=CC(Cl)O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is AHIGPSLHMJMIAM-HTZZROOISA-N. The full InChI is InChI=1S/C37H39ClO6/c1-2-33(38)44-37-36(42-26-31-21-13-6-14-22-31)35(41-25-30-19-11-5-12-20-30)34(40-24-29-17-9-4-10-18-29)32(43-37)27-39-23-28-15-7-3-8-16-28/h2-22,32-37H,1,23-27H2/t32-,33?,34-,35+,36-,37-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,3R,4S,5R,6R)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 615.17 g/mol, XLogP of 7.45, 16 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)-2-(1-chloroprop-2-enoxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 67563296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).