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Aliphatic and alicyclic building blocks

Npc47993

Also known as (+)-quinic acid, (3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid, 1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid

CAS 36413-60-2Formula C7H12O6Molar mass 192.17 g/molEC 253-023-5
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Npc47993 chemical structure, C7H12O6, CAS 36413-60-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36413-60-2
Formula
C7H12O6
Molar mass
192.17 g/mol
EC number
253-023-5
HS code
291819
Category
Aliphatic and alicyclic building blocks

What is Npc47993?

Plain description, key identifiers and synonyms

(+)-quinic acid is the (+)-enantiomer of quinic acid. It is an enantiomer of a (-)-quinic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trans-(3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
CAS number
36413-60-2
EC number
253-023-5
Molecular formula
C7H12O6
InChIKey
AAWZDTNXLSGCEK-ZHQZDSKASA-N
InChI
InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5?,7?/m0/s1
Canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(O)C1
Isomeric SMILES
C1[C@@H](C([C@H](CC1(C(=O)O)O)O)O)O

Synonyms

  • (+)-quinic acid
  • (3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
  • 1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid
  • (1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid
  • 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1alpha,3alpha,4alpha,5beta)-
  • rel-(1|A,3R,4|A,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1alpha,3alpha,4alpha,5beta)-

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
192.17 g/molcalc.
Exact mass
192.0634 Dacalc.
LogP (octanol/water)
-2.32calc.
Topological polar surface area
118.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
2calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 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.

Npc47993 suppliers

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Npc47993 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 Npc47993 is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Npc47993 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc47993, based on the data on this page

What is Npc47993?

(+)-quinic acid is the (+)-enantiomer of quinic acid. It is an enantiomer of a (-)-quinic acid.

What is the CAS number of Npc47993?

The CAS registry number of Npc47993 is 36413-60-2.

What is the molecular formula and weight of Npc47993?

The molecular formula of Npc47993 is C7H12O6 and its molar mass is 192.17 g/mol.

What is Npc47993 used for?

Known uses and roles of Npc47993 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Npc47993 hazardous?

No GHS hazard classification for Npc47993 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 Npc47993?

Npc47993 is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc47993?

Post a free request on CompoundList and suppliers of Npc47993 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Npc47993?

Suppliers quote Npc47993 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 Npc47993

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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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