(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one

C16H24O7 — CID 155529857

IUPAC(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one
SMILESCC[C@H](O)CCC(C1=C(O)[C@@H](C)OC1=O)C1=C(O)[C@@H](C)OC1O
InChIInChI=1S/C16H24O7/c1-4-9(17)5-6-10(11-13(18)7(2)22-15(11)20)12-14(19)8(3)23-16(12)21/h7-10,15,17-20H,4-6H2,1-3H3/t7-,8-,9+,10?,15?/m1/s1
InChIKeyRDLFKHSAGGGPCI-SHRADPOPSA-N
MW328.36 g/mol
LogP1.46
Rot. Bonds6

About (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one

(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one (PubChem CID 155529857) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one
PubChem CID155529857
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one
SMILESCC[C@H](O)CCC(C1=C(O)[C@@H](C)OC1=O)C1=C(O)[C@@H](C)OC1O
InChIInChI=1S/C16H24O7/c1-4-9(17)5-6-10(11-13(18)7(2)22-15(11)20)12-14(19)8(3)23-16(12)21/h7-10,15,17-20H,4-6H2,1-3H3/t7-,8-,9+,10?,15?/m1/s1
InChIKeyRDLFKHSAGGGPCI-SHRADPOPSA-N
XLogP1.46
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one (CID 155529857) is (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one is CC[C@H](O)CCC(C1=C(O)[C@@H](C)OC1=O)C1=C(O)[C@@H](C)OC1O.
What is the InChIKey of (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one?
The InChIKey is RDLFKHSAGGGPCI-SHRADPOPSA-N. The full InChI is InChI=1S/C16H24O7/c1-4-9(17)5-6-10(11-13(18)7(2)22-15(11)20)12-14(19)8(3)23-16(12)21/h7-10,15,17-20H,4-6H2,1-3H3/t7-,8-,9+,10?,15?/m1/s1.
What are the key properties of (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one?
(2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one has a molecular weight of 328.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4S)-1-[(5R)-2,4-dihydroxy-5-methyl-2,5-dihydrofuran-3-yl]-4-hydroxyhexyl]-3-hydroxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 155529857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).