(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid

C23H42O7 — CID 44604406

IUPAC(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid
SMILESCCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1)OCOC
InChIInChI=1S/C23H42O7/c1-6-7-17(28-13-27-5)12-18-8-9-19(29-18)14(2)22(24)15(3)20-10-11-21(30-20)16(4)23(25)26/h14-22,24H,6-13H2,1-5H3,(H,25,26)/t14-,15-,16-,17+,18+,19-,20+,21-,22+/m1/s1
InChIKeyHIQATMAFPRDSLG-BEOIFPMASA-N
MW430.58 g/mol
LogP3.61
Rot. Bonds13

About (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid

(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid (PubChem CID 44604406) has the molecular formula C23H42O7 and a molecular weight of 430.58 g/mol. Its IUPAC name is (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid
PubChem CID44604406
Molecular FormulaC23H42O7
Molecular Weight430.58 g/mol
Exact Mass430.29
IUPAC Name(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid
SMILESCCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1)OCOC
InChIInChI=1S/C23H42O7/c1-6-7-17(28-13-27-5)12-18-8-9-19(29-18)14(2)22(24)15(3)20-10-11-21(30-20)16(4)23(25)26/h14-22,24H,6-13H2,1-5H3,(H,25,26)/t14-,15-,16-,17+,18+,19-,20+,21-,22+/m1/s1
InChIKeyHIQATMAFPRDSLG-BEOIFPMASA-N
XLogP3.61
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid (CID 44604406) is (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid is CCC[C@@H](C[C@@H]1CC[C@H]([C@@H](C)[C@H](O)[C@H](C)[C@@H]2CC[C@H]([C@@H](C)C(=O)O)O2)O1)OCOC.
What is the InChIKey of (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid?
The InChIKey is HIQATMAFPRDSLG-BEOIFPMASA-N. The full InChI is InChI=1S/C23H42O7/c1-6-7-17(28-13-27-5)12-18-8-9-19(29-18)14(2)22(24)15(3)20-10-11-21(30-20)16(4)23(25)26/h14-22,24H,6-13H2,1-5H3,(H,25,26)/t14-,15-,16-,17+,18+,19-,20+,21-,22+/m1/s1.
What are the key properties of (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid?
(2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid has a molecular weight of 430.58 g/mol, XLogP of 3.61, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5S)-5-[(2S,3S,4S)-3-hydroxy-4-[(2R,5S)-5-[(2S)-2-(methoxymethoxy)pentyl]oxolan-2-yl]pentan-2-yl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 44604406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).