(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid

C14H26O6 — CID 134855154

IUPAC(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C(=O)O
InChIInChI=1S/C14H26O6/c1-8(2)19-12(11(15)13(16)17)9(3)6-10-7-18-14(4,5)20-10/h8-12,15H,6-7H2,1-5H3,(H,16,17)/t9-,10-,11-,12+/m1/s1
InChIKeyCEBUDCQAVDCBDA-KKOKHZNYSA-N
MW290.36 g/mol
LogP1.40
Rot. Bonds7

About (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid

(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid (PubChem CID 134855154) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid.

Molecular Properties

Compound Name(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
PubChem CID134855154
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
SMILESCC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C(=O)O
InChIInChI=1S/C14H26O6/c1-8(2)19-12(11(15)13(16)17)9(3)6-10-7-18-14(4,5)20-10/h8-12,15H,6-7H2,1-5H3,(H,16,17)/t9-,10-,11-,12+/m1/s1
InChIKeyCEBUDCQAVDCBDA-KKOKHZNYSA-N
XLogP1.40
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
(2S)-2-[(2S,3S,5R)-3,5-diethyl-5-pentyloxolan-2-yl]-2-hydroxyacetic acid
CID 127043555
(3S,5S)-5-(hydroxymethyl)-3-[(1R)-1-hydroxy-6-methylheptyl]oxolan-2-one
CID 23427905
(2R*,4S*)-2-((1'S*)-hydroxy-4'-methylpentyl)-4-(hydroxymethyl)butanolide
CID 38350557
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
CID 23930375
5-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoic acid
CID 56776374
Methyl 6-[(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-3-fluoro-2-hydroxy-5-methyloxane-2-carboxylate
CID 91144611
Fluoro 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxypentanoate
CID 174514856
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylpentyl)oxolan-2-one
CID 23872094
ethyl (6S,7S,8R)-7,8-dihydroxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 11299578
methyl (2R)-2-hydroxy-2-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]acetate
CID 11736414
methyl (4S,5R)-5-((S)-sec-butyl)-4-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11780740

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid?
The IUPAC name of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid (CID 134855154) is (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid.
What is the SMILES notation for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid?
The canonical SMILES for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid is CC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid?
The InChIKey is CEBUDCQAVDCBDA-KKOKHZNYSA-N. The full InChI is InChI=1S/C14H26O6/c1-8(2)19-12(11(15)13(16)17)9(3)6-10-7-18-14(4,5)20-10/h8-12,15H,6-7H2,1-5H3,(H,16,17)/t9-,10-,11-,12+/m1/s1.
What are the key properties of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid?
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid is sourced from PubChem (CID 134855154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).