(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol

C34H38O5 — CID 3011294

IUPAC(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol
SMILESO[C@@H](C[C@@H](COCc1ccccc1)OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H38O5/c35-33(34(39-25-31-19-11-4-12-20-31)27-37-23-29-15-7-2-8-16-29)21-32(38-24-30-17-9-3-10-18-30)26-36-22-28-13-5-1-6-14-28/h1-20,32-35H,21-27H2/t32-,33-,34+/m0/s1
InChIKeyBLIIQEUSAXTXKP-DHWXLLNHSA-N
MW526.67 g/mol
LogP6.34
Rot. Bonds17

About (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol

(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol (PubChem CID 3011294) has the molecular formula C34H38O5 and a molecular weight of 526.67 g/mol. Its IUPAC name is (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol
PubChem CID3011294
Molecular FormulaC34H38O5
Molecular Weight526.67 g/mol
Exact Mass526.27
IUPAC Name(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol
SMILESO[C@@H](C[C@@H](COCc1ccccc1)OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H38O5/c35-33(34(39-25-31-19-11-4-12-20-31)27-37-23-29-15-7-2-8-16-29)21-32(38-24-30-17-9-3-10-18-30)26-36-22-28-13-5-1-6-14-28/h1-20,32-35H,21-27H2/t32-,33-,34+/m0/s1
InChIKeyBLIIQEUSAXTXKP-DHWXLLNHSA-N
XLogP6.34
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.67
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol?
The IUPAC name of (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol (CID 3011294) is (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol.
What is the SMILES notation for (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol?
The canonical SMILES for (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol is O[C@@H](C[C@@H](COCc1ccccc1)OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol?
The InChIKey is BLIIQEUSAXTXKP-DHWXLLNHSA-N. The full InChI is InChI=1S/C34H38O5/c35-33(34(39-25-31-19-11-4-12-20-31)27-37-23-29-15-7-2-8-16-29)21-32(38-24-30-17-9-3-10-18-30)26-36-22-28-13-5-1-6-14-28/h1-20,32-35H,21-27H2/t32-,33-,34+/m0/s1.
What are the key properties of (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol?
(2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol has a molecular weight of 526.67 g/mol, XLogP of 6.34, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-ol is sourced from PubChem (CID 3011294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).