(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane

C36H48O5 — CID 102422537

IUPAC(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCCCCCCCCCCO[C@@H]1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-18-25-37-36-35(40-28-32-23-16-11-17-24-32)34(39-27-31-21-14-10-15-22-31)33(29-41-36)38-26-30-19-12-9-13-20-30/h9-17,19-24,33-36H,2-8,18,25-29H2,1H3/t33-,34+,35-,36-/m1/s1
InChIKeyMPTZSPURLPZOIG-IYKITFJXSA-N
MW560.78 g/mol
LogP8.26
Rot. Bonds19

About (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane

(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 102422537) has the molecular formula C36H48O5 and a molecular weight of 560.78 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
PubChem CID102422537
Molecular FormulaC36H48O5
Molecular Weight560.78 g/mol
Exact Mass560.35
IUPAC Name(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
SMILESCCCCCCCCCCO[C@@H]1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-18-25-37-36-35(40-28-32-23-16-11-17-24-32)34(39-27-31-21-14-10-15-22-31)33(29-41-36)38-26-30-19-12-9-13-20-30/h9-17,19-24,33-36H,2-8,18,25-29H2,1H3/t33-,34+,35-,36-/m1/s1
InChIKeyMPTZSPURLPZOIG-IYKITFJXSA-N
XLogP8.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.78
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-2-octadecoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102410238
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
(2S,5R)-3,4,5-tris(phenylmethoxy)-2-prop-2-ynoxyoxane
CID 135033062
(3R,4S,5S)-2-[[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-3,4-dimethoxy-5-octoxyoxolane
CID 25085916
(2R,3R,4S,5S)-2-octoxy-3,4-bis(phenylmethoxy)-5-[(1R)-1-phenylmethoxyethyl]oxolane
CID 11364815
N-[15-[(2R,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypentadecyl]octadecan-1-amine
CID 101093155
3-[diphenyl-[3-[(2S,3R,4S,5R)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropoxy]methyl]-N,N-dimethylaniline
CID 53466554
[(2R,3R,4S,5R)-5-octoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101138475
(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
CID 15946241
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane (CID 102422537) is (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane is CCCCCCCCCCO[C@@H]1OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is MPTZSPURLPZOIG-IYKITFJXSA-N. The full InChI is InChI=1S/C36H48O5/c1-2-3-4-5-6-7-8-18-25-37-36-35(40-28-32-23-16-11-17-24-32)34(39-27-31-21-14-10-15-22-31)33(29-41-36)38-26-30-19-12-9-13-20-30/h9-17,19-24,33-36H,2-8,18,25-29H2,1H3/t33-,34+,35-,36-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane?
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 560.78 g/mol, XLogP of 8.26, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 102422537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).