(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one

C12H20O6 — CID 20717003

IUPAC(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one
SMILESO=C1C2(CCCCC2)[C@@]1(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H20O6/c13-6-7(14)8(15)9(16)12(18)10(17)11(12)4-2-1-3-5-11/h7-9,13-16,18H,1-6H2/t7-,8-,9+,12-/m1/s1
InChIKeyMEROAGCHKOASMZ-KZFFXBSXSA-N
MW260.29 g/mol
LogP-1.67
Rot. Bonds4

About (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one

(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one (PubChem CID 20717003) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one
PubChem CID20717003
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one
SMILESO=C1C2(CCCCC2)[C@@]1(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H20O6/c13-6-7(14)8(15)9(16)12(18)10(17)11(12)4-2-1-3-5-11/h7-9,13-16,18H,1-6H2/t7-,8-,9+,12-/m1/s1
InChIKeyMEROAGCHKOASMZ-KZFFXBSXSA-N
XLogP-1.67
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one?
The IUPAC name of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one (CID 20717003) is (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one?
The canonical SMILES for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one is O=C1C2(CCCCC2)[C@@]1(O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one?
The InChIKey is MEROAGCHKOASMZ-KZFFXBSXSA-N. The full InChI is InChI=1S/C12H20O6/c13-6-7(14)8(15)9(16)12(18)10(17)11(12)4-2-1-3-5-11/h7-9,13-16,18H,1-6H2/t7-,8-,9+,12-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one?
(2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one has a molecular weight of 260.29 g/mol, XLogP of -1.67, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]spiro[2.5]octan-1-one is sourced from PubChem (CID 20717003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).