[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate

C23H34O8 — CID 121434664

IUPAC[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate
SMILESCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](OC(=O)CCCC)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H34O8/c1-3-5-12-18(24)28-15-17-21(29-14-16-10-8-7-9-11-16)22(20(26)23(27)30-17)31-19(25)13-6-4-2/h7-11,17,20-23,26-27H,3-6,12-15H2,1-2H3/t17-,20-,21-,22-,23?/m1/s1
InChIKeyIYPVZJMAYHNYOO-ODVBKUSYSA-N
MW438.52 g/mol
LogP2.49
Rot. Bonds12

About [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate

[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate (PubChem CID 121434664) has the molecular formula C23H34O8 and a molecular weight of 438.52 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate
PubChem CID121434664
Molecular FormulaC23H34O8
Molecular Weight438.52 g/mol
Exact Mass438.23
IUPAC Name[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate
SMILESCCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](OC(=O)CCCC)[C@@H]1OCc1ccccc1
InChIInChI=1S/C23H34O8/c1-3-5-12-18(24)28-15-17-21(29-14-16-10-8-7-9-11-16)22(20(26)23(27)30-17)31-19(25)13-6-4-2/h7-11,17,20-23,26-27H,3-6,12-15H2,1-2H3/t17-,20-,21-,22-,23?/m1/s1
InChIKeyIYPVZJMAYHNYOO-ODVBKUSYSA-N
XLogP2.49
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate with MolForge

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Related Compounds

[(2R,3R,4R,5R,6R)-6-[(2R,3R,4S,5R,6R)-3,4-di(hexadecanoyloxy)-6-(hexadecanoyloxymethyl)-5-phenylmethoxyoxan-2-yl]oxy-5-hydroxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl hexadecanoate
CID 71819470
[(3R,4S,6R)-3-methyl-6-[(2R,5S)-3-methyl-6-(pentanoyloxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl hexanoate
CID 70905905
(3R,4R,5R,6R)-4-pentoxy-6-(pentoxymethyl)-5-phenylmethoxyoxane-2,3-diol
CID 121434721
[(1R,2R,3S,4S,5R,6S)-2-butanoyloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] butanoate
CID 11755710
[(2R,3R,4S,5S)-5-[[(2R,3R,4S,5S)-3-[(2R,3S,4R,5R)-5-(hexadecanoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]oxy-5-methoxy-4-phenylmethoxyoxolan-2-yl]methoxy]-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl hexadecanoate
CID 46894371
[(1S,3R,4S)-3-[(2R,4R,5R)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-hydroxy-4,5,6-tris(phenylmethoxy)cyclohexyl] hexadecanoate
CID 91595805
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
[(2R,3S,4R,5R)-5-acetamido-6-oxo-3,4-bis(phenylmethoxy)oxan-2-yl]methyl octanoate
CID 11237803
[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 90801317
[(2R,3R,4S,5R)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 91326199

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate?
The IUPAC name of [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate (CID 121434664) is [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate.
What is the SMILES notation for [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate?
The canonical SMILES for [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate is CCCCC(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](OC(=O)CCCC)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate?
The InChIKey is IYPVZJMAYHNYOO-ODVBKUSYSA-N. The full InChI is InChI=1S/C23H34O8/c1-3-5-12-18(24)28-15-17-21(29-14-16-10-8-7-9-11-16)22(20(26)23(27)30-17)31-19(25)13-6-4-2/h7-11,17,20-23,26-27H,3-6,12-15H2,1-2H3/t17-,20-,21-,22-,23?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate?
[(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate has a molecular weight of 438.52 g/mol, XLogP of 2.49, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5,6-dihydroxy-4-pentanoyloxy-3-phenylmethoxyoxan-2-yl]methyl pentanoate is sourced from PubChem (CID 121434664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).