(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane

C51H58O9 — CID 14211901

IUPAC(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
SMILESC=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCC=C)[C@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C51H58O9/c1-3-30-52-37-45(55-33-41-22-12-6-13-23-41)48(57-35-43-26-16-8-17-27-43)46(56-34-42-24-14-7-15-25-42)39-59-51-50(58-36-44-28-18-9-19-29-44)49(54-31-4-2)47(60-51)38-53-32-40-20-10-5-11-21-40/h3-29,45-51H,1-2,30-39H2/t45-,46+,47-,48-,49-,50-,51-/m1/s1
InChIKeyBENIGVLXDRAWIK-XHKIDFCKSA-N
MW815.02 g/mol
LogP9.06
Rot. Bonds28

About (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane

(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane (PubChem CID 14211901) has the molecular formula C51H58O9 and a molecular weight of 815.02 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
PubChem CID14211901
Molecular FormulaC51H58O9
Molecular Weight815.02 g/mol
Exact Mass814.41
IUPAC Name(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane
SMILESC=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCC=C)[C@H]1OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C51H58O9/c1-3-30-52-37-45(55-33-41-22-12-6-13-23-41)48(57-35-43-26-16-8-17-27-43)46(56-34-42-24-14-7-15-25-42)39-59-51-50(58-36-44-28-18-9-19-29-44)49(54-31-4-2)47(60-51)38-53-32-40-20-10-5-11-21-40/h3-29,45-51H,1-2,30-39H2/t45-,46+,47-,48-,49-,50-,51-/m1/s1
InChIKeyBENIGVLXDRAWIK-XHKIDFCKSA-N
XLogP9.06
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.02
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(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
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
1,3-bis[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]propan-2-ol
CID 59819467
(2S,3S,4R,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11263097
(2S,3R,4R,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11513699
(2R,3R,4R,6E)-6-hydroxyimino-3,4-bis(phenylmethoxy)-1-[(2S,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhexan-2-ol
CID 11411919
(2R,3S,4R,5R,6S)-3-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
CID 102459892
[(2R,3R,4S,5S,6R)-6-[(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101247694
(2S,3S,4R,5R,6R)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-2-methyl-3,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11479816
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2R,3R,4S,5S,6R)-2-[(2S)-2,3-di(tetradecoxy)propoxy]-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxane
CID 131723888

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane?
The IUPAC name of (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane (CID 14211901) is (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane.
What is the SMILES notation for (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane?
The canonical SMILES for (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane is C=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCC=C)[C@H]1OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane?
The InChIKey is BENIGVLXDRAWIK-XHKIDFCKSA-N. The full InChI is InChI=1S/C51H58O9/c1-3-30-52-37-45(55-33-41-22-12-6-13-23-41)48(57-35-43-26-16-8-17-27-43)46(56-34-42-24-14-7-15-25-42)39-59-51-50(58-36-44-28-18-9-19-29-44)49(54-31-4-2)47(60-51)38-53-32-40-20-10-5-11-21-40/h3-29,45-51H,1-2,30-39H2/t45-,46+,47-,48-,49-,50-,51-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane?
(2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane has a molecular weight of 815.02 g/mol, XLogP of 9.06, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-prop-2-enoxy-5-[(2S,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentoxy]oxolane is sourced from PubChem (CID 14211901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).