(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione

C18H21ClO7 — CID 59482093

IUPAC(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione
SMILESC/C1=C/C(=O)[C@@H](O)[C@@H](O)CCc2c(Cl)c(O)cc(O)c2C(=O)O[C@@H](C)C1
InChIInChI=1S/C18H21ClO7/c1-8-5-9(2)26-18(25)15-10(16(19)13(22)7-12(15)21)3-4-11(20)17(24)14(23)6-8/h6-7,9,11,17,20-22,24H,3-5H2,1-2H3/b8-6-/t9-,11-,17-/m0/s1
InChIKeyAIKBGFUYDYPEBA-TWKLZFIVSA-N
MW384.81 g/mol
LogP1.87
Rot. Bonds

About (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione

(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione (PubChem CID 59482093) has the molecular formula C18H21ClO7 and a molecular weight of 384.81 g/mol. Its IUPAC name is (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione.

Molecular Properties

Compound Name(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione
PubChem CID59482093
Molecular FormulaC18H21ClO7
Molecular Weight384.81 g/mol
Exact Mass384.10
IUPAC Name(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione
SMILESC/C1=C/C(=O)[C@@H](O)[C@@H](O)CCc2c(Cl)c(O)cc(O)c2C(=O)O[C@@H](C)C1
InChIInChI=1S/C18H21ClO7/c1-8-5-9(2)26-18(25)15-10(16(19)13(22)7-12(15)21)3-4-11(20)17(24)14(23)6-8/h6-7,9,11,17,20-22,24H,3-5H2,1-2H3/b8-6-/t9-,11-,17-/m0/s1
InChIKeyAIKBGFUYDYPEBA-TWKLZFIVSA-N
XLogP1.87
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione?
The IUPAC name of (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione (CID 59482093) is (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione.
What is the SMILES notation for (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione?
The canonical SMILES for (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione is C/C1=C/C(=O)[C@@H](O)[C@@H](O)CCc2c(Cl)c(O)cc(O)c2C(=O)O[C@@H](C)C1.
What is the InChIKey of (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione?
The InChIKey is AIKBGFUYDYPEBA-TWKLZFIVSA-N. The full InChI is InChI=1S/C18H21ClO7/c1-8-5-9(2)26-18(25)15-10(16(19)13(22)7-12(15)21)3-4-11(20)17(24)14(23)6-8/h6-7,9,11,17,20-22,24H,3-5H2,1-2H3/b8-6-/t9-,11-,17-/m0/s1.
What are the key properties of (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione?
(4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione has a molecular weight of 384.81 g/mol, XLogP of 1.87, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6Z,9S,10S)-14-chloro-9,10,15,17-tetrahydroxy-4,6-dimethyl-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,8-dione is sourced from PubChem (CID 59482093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).