(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol

C20H26O6 — CID 10690012

IUPAC(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
SMILESCOc1ccc(CO[C@H]([C@H](O)COCc2ccccc2)[C@@H](O)CO)cc1
InChIInChI=1S/C20H26O6/c1-24-17-9-7-16(8-10-17)13-26-20(18(22)11-21)19(23)14-25-12-15-5-3-2-4-6-15/h2-10,18-23H,11-14H2,1H3/t18-,19+,20-/m0/s1
InChIKeyVDMRUDCBZQFZFU-ZCNNSNEGSA-N
MW362.42 g/mol
LogP1.51
Rot. Bonds11

About (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol

(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol (PubChem CID 10690012) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol.

Molecular Properties

Compound Name(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
PubChem CID10690012
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
SMILESCOc1ccc(CO[C@H]([C@H](O)COCc2ccccc2)[C@@H](O)CO)cc1
InChIInChI=1S/C20H26O6/c1-24-17-9-7-16(8-10-17)13-26-20(18(22)11-21)19(23)14-25-12-15-5-3-2-4-6-15/h2-10,18-23H,11-14H2,1H3/t18-,19+,20-/m0/s1
InChIKeyVDMRUDCBZQFZFU-ZCNNSNEGSA-N
XLogP1.51
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3R,4S)-3-(methoxymethoxy)-5-[(4-methoxyphenyl)methoxy]-2-methylpentane-1,4-diol
CID 11695341
(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(2R,3S)-1-[(4-methoxyphenyl)methoxy]-4-(naphthalen-2-ylmethoxy)butane-2,3-diol
CID 100966821
(2R,3R,4R,5R)-4,5,6-trihydroxy-3-[(4-methoxyphenyl)methoxy]-2-phenylmethoxyhexanal
CID 174667133
(2R,3S)-4-[(4-methoxyphenyl)methoxy]-3-[(4-methylphenyl)methoxy]butane-1,2-diol
CID 140633173
(3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxybutan-2-one
CID 11255470
(2R,3S,4S,5R,6R)-3-methoxy-4,6-bis(methylperoxy)-5,7-bis(phenylmethoxy)heptane-1,2-diol
CID 87496085

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol?
The IUPAC name of (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol (CID 10690012) is (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol.
What is the SMILES notation for (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol?
The canonical SMILES for (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol is COc1ccc(CO[C@H]([C@H](O)COCc2ccccc2)[C@@H](O)CO)cc1.
What is the InChIKey of (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol?
The InChIKey is VDMRUDCBZQFZFU-ZCNNSNEGSA-N. The full InChI is InChI=1S/C20H26O6/c1-24-17-9-7-16(8-10-17)13-26-20(18(22)11-21)19(23)14-25-12-15-5-3-2-4-6-15/h2-10,18-23H,11-14H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol?
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol has a molecular weight of 362.42 g/mol, XLogP of 1.51, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol is sourced from PubChem (CID 10690012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).