(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride

C4H2Cl5O4P — CID 23263183

IUPAC(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride
SMILESO=C(Cl)[C@@H](Cl)[C@H](OP(=O)(Cl)Cl)C(=O)Cl
InChIInChI=1S/C4H2Cl5O4P/c5-1(3(6)10)2(4(7)11)13-14(8,9)12/h1-2H/t1-,2-/m0/s1
InChIKeyLGGRTLBFKJHTTD-LWMBPPNESA-N
MW322.30 g/mol
LogP3.10
Rot. Bonds5

About (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride

(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride (PubChem CID 23263183) has the molecular formula C4H2Cl5O4P and a molecular weight of 322.30 g/mol. Its IUPAC name is (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride.

Molecular Properties

Compound Name(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride
PubChem CID23263183
Molecular FormulaC4H2Cl5O4P
Molecular Weight322.30 g/mol
Exact Mass319.81
IUPAC Name(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride
SMILESO=C(Cl)[C@@H](Cl)[C@H](OP(=O)(Cl)Cl)C(=O)Cl
InChIInChI=1S/C4H2Cl5O4P/c5-1(3(6)10)2(4(7)11)13-14(8,9)12/h1-2H/t1-,2-/m0/s1
InChIKeyLGGRTLBFKJHTTD-LWMBPPNESA-N
XLogP3.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride?
The IUPAC name of (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride (CID 23263183) is (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride.
What is the SMILES notation for (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride?
The canonical SMILES for (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride is O=C(Cl)[C@@H](Cl)[C@H](OP(=O)(Cl)Cl)C(=O)Cl.
What is the InChIKey of (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride?
The InChIKey is LGGRTLBFKJHTTD-LWMBPPNESA-N. The full InChI is InChI=1S/C4H2Cl5O4P/c5-1(3(6)10)2(4(7)11)13-14(8,9)12/h1-2H/t1-,2-/m0/s1.
What are the key properties of (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride?
(2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride has a molecular weight of 322.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-chloro-3-dichlorophosphoryloxybutanedioyl dichloride is sourced from PubChem (CID 23263183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).