2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid

C18H30O8 — CID 134872437

IUPAC2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid
SMILESCC1(C)OC[C@@H]([C@H]2C[C@@H](O)C[C@@H](C[C@H]3C[C@@H](O)C[C@H](CC(=O)O)O3)O2)O1
InChIInChI=1S/C18H30O8/c1-18(2)23-9-16(26-18)15-6-11(20)5-13(25-15)7-12-3-10(19)4-14(24-12)8-17(21)22/h10-16,19-20H,3-9H2,1-2H3,(H,21,22)/t10-,11+,12-,13+,14-,15-,16+/m1/s1
InChIKeyHPZIBWHYPNGOCB-ORKIIUGYSA-N
MW374.43 g/mol
LogP0.82
Rot. Bonds5

About 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid

2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid (PubChem CID 134872437) has the molecular formula C18H30O8 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid
PubChem CID134872437
Molecular FormulaC18H30O8
Molecular Weight374.43 g/mol
Exact Mass374.19
IUPAC Name2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid
SMILESCC1(C)OC[C@@H]([C@H]2C[C@@H](O)C[C@@H](C[C@H]3C[C@@H](O)C[C@H](CC(=O)O)O3)O2)O1
InChIInChI=1S/C18H30O8/c1-18(2)23-9-16(26-18)15-6-11(20)5-13(25-15)7-12-3-10(19)4-14(24-12)8-17(21)22/h10-16,19-20H,3-9H2,1-2H3,(H,21,22)/t10-,11+,12-,13+,14-,15-,16+/m1/s1
InChIKeyHPZIBWHYPNGOCB-ORKIIUGYSA-N
XLogP0.82
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid?
The IUPAC name of 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid (CID 134872437) is 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid is CC1(C)OC[C@@H]([C@H]2C[C@@H](O)C[C@@H](C[C@H]3C[C@@H](O)C[C@H](CC(=O)O)O3)O2)O1.
What is the InChIKey of 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid?
The InChIKey is HPZIBWHYPNGOCB-ORKIIUGYSA-N. The full InChI is InChI=1S/C18H30O8/c1-18(2)23-9-16(26-18)15-6-11(20)5-13(25-15)7-12-3-10(19)4-14(24-12)8-17(21)22/h10-16,19-20H,3-9H2,1-2H3,(H,21,22)/t10-,11+,12-,13+,14-,15-,16+/m1/s1.
What are the key properties of 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid?
2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid has a molecular weight of 374.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,6R)-6-[[(2S,4S,6R)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxyoxan-2-yl]methyl]-4-hydroxyoxan-2-yl]acetic acid is sourced from PubChem (CID 134872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).