CID 10769805

C35H46O8 — CID 10769805

IUPAC—
SMILESC=CCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@@H]12
InChIInChI=1S/C35H46O8/c1-2-3-12-21-37-33-32-31(42-34(19-10-13-22-39-34)35(43-32)20-11-14-23-40-35)30(38-25-28-17-8-5-9-18-28)29(41-33)26-36-24-27-15-6-4-7-16-27/h2,4-9,15-18,29-33H,1,3,10-14,19-26H2/t29-,30-,31+,32-,33-,34-,35-/m1/s1
InChIKeyMICODOVCPFGIKF-VUXXPKCLSA-N
MW594.75 g/mol
LogP6.07
Rot. Bonds12

About CID 10769805

CID 10769805 (PubChem CID 10769805) has the molecular formula C35H46O8 and a molecular weight of 594.75 g/mol.

Molecular Properties

Compound NameCID 10769805
PubChem CID10769805
Molecular FormulaC35H46O8
Molecular Weight594.75 g/mol
Exact Mass594.32
IUPAC Name—
SMILESC=CCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@@H]12
InChIInChI=1S/C35H46O8/c1-2-3-12-21-37-33-32-31(42-34(19-10-13-22-39-34)35(43-32)20-11-14-23-40-35)30(38-25-28-17-8-5-9-18-28)29(41-33)26-36-24-27-15-6-4-7-16-27/h2,4-9,15-18,29-33H,1,3,10-14,19-26H2/t29-,30-,31+,32-,33-,34-,35-/m1/s1
InChIKeyMICODOVCPFGIKF-VUXXPKCLSA-N
XLogP6.07
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.75
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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N-[(2R,3R,4R,5S,6R)-2-pent-4-enoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
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(2S,3S,4S,5R)-2-[[(2R,3R,4S,5S)-3-[(2R,3S,4S,5R)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-5-[[(2R,3R,4S,5S)-5-pent-4-enoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-4-phenylmethoxyoxolan-2-yl]methoxy]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
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(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-(3-phenylpropoxy)oxolane
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[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-3,5-diacetyloxy-4-[(2R,3S,4S,5R,6R)-3-benzoyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-3,5-diacetyloxy-4-[(2R,3S,4S,5R,6R)-3-acetyloxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-pent-4-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] benzoate
CID 71490425

Frequently Asked Questions

What is the IUPAC name of CID 10769805?
The IUPAC name of CID 10769805 (CID 10769805) is not available.
What is the SMILES notation for CID 10769805?
The canonical SMILES for CID 10769805 is C=CCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2O[C@]3(CCCCO3)[C@@]3(CCCCO3)O[C@@H]12.
What is the InChIKey of CID 10769805?
The InChIKey is MICODOVCPFGIKF-VUXXPKCLSA-N. The full InChI is InChI=1S/C35H46O8/c1-2-3-12-21-37-33-32-31(42-34(19-10-13-22-39-34)35(43-32)20-11-14-23-40-35)30(38-25-28-17-8-5-9-18-28)29(41-33)26-36-24-27-15-6-4-7-16-27/h2,4-9,15-18,29-33H,1,3,10-14,19-26H2/t29-,30-,31+,32-,33-,34-,35-/m1/s1.
What are the key properties of CID 10769805?
CID 10769805 has a molecular weight of 594.75 g/mol, XLogP of 6.07, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10769805 is sourced from PubChem (CID 10769805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).