(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol

C35H38O5 — CID 11827633

IUPAC(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
SMILESC=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C35H38O5/c1-2-33(38-24-29-17-9-4-10-18-29)35(40-26-31-21-13-6-14-22-31)34(39-25-30-19-11-5-12-20-30)32(36)27-37-23-28-15-7-3-8-16-28/h2-22,32-36H,1,23-27H2/t32-,33+,34+,35-/m1/s1
InChIKeySQQYKEFUMBMTTK-HDBFZYDSSA-N
MW538.68 g/mol
LogP6.51
Rot. Bonds17

About (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol

(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol (PubChem CID 11827633) has the molecular formula C35H38O5 and a molecular weight of 538.68 g/mol. Its IUPAC name is (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
PubChem CID11827633
Molecular FormulaC35H38O5
Molecular Weight538.68 g/mol
Exact Mass538.27
IUPAC Name(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
SMILESC=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C35H38O5/c1-2-33(38-24-29-17-9-4-10-18-29)35(40-26-31-21-13-6-14-22-31)34(39-25-30-19-11-5-12-20-30)32(36)27-37-23-28-15-7-3-8-16-28/h2-22,32-36H,1,23-27H2/t32-,33+,34+,35-/m1/s1
InChIKeySQQYKEFUMBMTTK-HDBFZYDSSA-N
XLogP6.51
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182
(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 146406666

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol?
The IUPAC name of (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol (CID 11827633) is (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol.
What is the SMILES notation for (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol?
The canonical SMILES for (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol is C=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol?
The InChIKey is SQQYKEFUMBMTTK-HDBFZYDSSA-N. The full InChI is InChI=1S/C35H38O5/c1-2-33(38-24-29-17-9-4-10-18-29)35(40-26-31-21-13-6-14-22-31)34(39-25-30-19-11-5-12-20-30)32(36)27-37-23-28-15-7-3-8-16-28/h2-22,32-36H,1,23-27H2/t32-,33+,34+,35-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol?
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol has a molecular weight of 538.68 g/mol, XLogP of 6.51, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol is sourced from PubChem (CID 11827633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).