(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol

C19H24O5 — CID 101350837

IUPAC(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
SMILESOC[C@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H24O5/c20-11-17(21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-10,17-22H,11-14H2/t17-,18+,19-/m0/s1
InChIKeyFPGFJFUHIBNLID-OTWHNJEPSA-N
MW332.40 g/mol
LogP1.50
Rot. Bonds10

About (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol

(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol (PubChem CID 101350837) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
PubChem CID101350837
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
SMILESOC[C@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H24O5/c20-11-17(21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-10,17-22H,11-14H2/t17-,18+,19-/m0/s1
InChIKeyFPGFJFUHIBNLID-OTWHNJEPSA-N
XLogP1.50
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135765
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol?
The IUPAC name of (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol (CID 101350837) is (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol.
What is the SMILES notation for (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol?
The canonical SMILES for (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol is OC[C@H](O)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol?
The InChIKey is FPGFJFUHIBNLID-OTWHNJEPSA-N. The full InChI is InChI=1S/C19H24O5/c20-11-17(21)19(24-13-16-9-5-2-6-10-16)18(22)14-23-12-15-7-3-1-4-8-15/h1-10,17-22H,11-14H2/t17-,18+,19-/m0/s1.
What are the key properties of (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol?
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol has a molecular weight of 332.40 g/mol, XLogP of 1.50, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol is sourced from PubChem (CID 101350837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).