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Isotope-labelled compounds

7'-Hydroxy ABA-d2

CAS 865875-19-0Formula C15H20O5Molar mass 282.33 g/mol
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7'-Hydroxy ABA-d2 chemical structure, C15H20O5, CAS 865875-19-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
865875-19-0
Formula
C15H20O5
Molar mass
282.33 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is 7'-Hydroxy ABA-d2?

Plain description, key identifiers and synonyms

7'-Hydroxy ABA-d2 is a chemical substance with the molecular formula C15H20O5 and a molar mass of 282.33 g/mol. Its CAS registry number is 865875-19-0. The IUPAC name is (2Z,4E)-5-[(1S)-2-[dideuterio(hydroxy)methyl]-1-hydroxy-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2Z,4E)-5-[(1S)-2-[dideuterio(hydroxy)methyl]-1-hydroxy-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
CAS number
865875-19-0
Molecular formula
C15H20O5
InChIKey
ZGHRCSAIMSBFLK-HXIWSWNXSA-N
InChI
InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/b5-4+,10-6-/t15-/m1/s1/i9D2
Canonical SMILES
CC(C=CC1(O)C(CO)=CC(=O)CC1(C)C)=CC(=O)O
Isomeric SMILES
[2H]C([2H])(C1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C)O

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
282.33 g/molcalc.
Exact mass
282.1436 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
94.83 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.47calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CCCC1

O=C1C=CCCC1

1 ring, 7 atoms, the 2-Cyclohexen-1-one ring system.

1,362 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

7'-Hydroxy ABA-d2 suppliers

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7'-Hydroxy ABA-d2 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 7'-Hydroxy ABA-d2 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 7'-Hydroxy ABA-d2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 7'-Hydroxy ABA-d2, based on the data on this page

What is 7'-Hydroxy ABA-d2?

7'-Hydroxy ABA-d2 is a chemical substance with the molecular formula C15H20O5 and a molar mass of 282.33 g/mol. Its CAS registry number is 865875-19-0. The IUPAC name is (2Z,4E)-5-[(1S)-2-[dideuterio(hydroxy)methyl]-1-hydroxy-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid.

What is the CAS number of 7'-Hydroxy ABA-d2?

The CAS registry number of 7'-Hydroxy ABA-d2 is 865875-19-0.

What is the molecular formula and weight of 7'-Hydroxy ABA-d2?

The molecular formula of 7'-Hydroxy ABA-d2 is C15H20O5 and its molar mass is 282.33 g/mol.

What is 7'-Hydroxy ABA-d2 used for?

Known uses and roles of 7'-Hydroxy ABA-d2 include isotope-labelled compounds in research and laboratory.

Is 7'-Hydroxy ABA-d2 hazardous?

No GHS hazard classification for 7'-Hydroxy ABA-d2 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 7'-Hydroxy ABA-d2?

7'-Hydroxy ABA-d2 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 7'-Hydroxy ABA-d2?

Post a free request on CompoundList and suppliers of 7'-Hydroxy ABA-d2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 7'-Hydroxy ABA-d2?

Suppliers quote 7'-Hydroxy ABA-d2 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 7'-Hydroxy ABA-d2

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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