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Aliphatic and alicyclic building blocks

Prephytoene diphosphate

Also known as Prephytoene pyrophosphate, (1R,2R,3R)-prephytoene diphosphate, Prelycopersene pyrophosphate

CAS 38005-61-7Formula C40H68O7P2Molar mass 722.93 g/mol
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Prephytoene diphosphate chemical structure, C40H68O7P2, CAS 38005-61-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38005-61-7
Formula
C40H68O7P2
Molar mass
722.93 g/mol
HS code
291990
Category
Aliphatic and alicyclic building blocks

What is Prephytoene diphosphate?

Plain description, key identifiers and synonyms

(1R,2R,3R)-prephytoene diphosphate is the (1R,2R,3R)-diastereomer of prephytoene diphosphate. It is a conjugate acid of a (1R,2R,3R)-prephytoene diphosphate(3-). It is an enantiomer of a (1S,2S,3S)-prephytoene diphosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,3R)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate
CAS number
38005-61-7 CAS number cross-checked
Molecular formula
C40H68O7P2
UNII
9RE33T5G86
InChIKey
RVCNKTPCHZNAAO-UZDKSQMHSA-N
InChI
InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC1C(COP(=O)(O)OP(=O)(O)O)C1(C)CCC=C(C)CCC=C(C)CCC=C(C)C
Isomeric SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C

Synonyms

  • Prephytoene pyrophosphate
  • (1R,2R,3R)-prephytoene diphosphate
  • Prelycopersene pyrophosphate

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
722.93 g/molcalc.
Exact mass
722.444 Dacalc.
LogP (octanol/water)
12.81calc.
Topological polar surface area
113.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
24calc.
Heavy atoms
49calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Fails (2 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, C1CC1

C1CC1

1 ring, 3 atoms, the Cyclopropane ring system.

17,446 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.

Prephytoene diphosphate suppliers

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Prephytoene diphosphate 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 Prephytoene diphosphate is traded under.

HS 2919.90Indicative HS code

Phosphoric, and their salts, including lactophosphates, their halogenated, sulphonated, nitrated…

World exports in 2024
$940M
−0.7% vs 2023, imports $863M
2019 to 2024
Top exporters
  1. China55.6%
  2. Germany10.6%
  3. Italy6.2%
Top importers
  1. United States15.8%
  2. South Korea10.1%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Prephytoene diphosphate, based on the data on this page

What is Prephytoene diphosphate?

(1R,2R,3R)-prephytoene diphosphate is the (1R,2R,3R)-diastereomer of prephytoene diphosphate. It is a conjugate acid of a (1R,2R,3R)-prephytoene diphosphate(3-). It is an enantiomer of a (1S,2S,3S)-prephytoene diphosphate.

What is the CAS number of Prephytoene diphosphate?

The CAS registry number of Prephytoene diphosphate is 38005-61-7.

What is the molecular formula and weight of Prephytoene diphosphate?

The molecular formula of Prephytoene diphosphate is C40H68O7P2 and its molar mass is 722.93 g/mol.

What is Prephytoene diphosphate used for?

Known uses and roles of Prephytoene diphosphate include building blocks in research and laboratory.

Is Prephytoene diphosphate hazardous?

No GHS hazard classification for Prephytoene diphosphate 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 Prephytoene diphosphate?

Prephytoene diphosphate is usually classified under HS code 291990 (Phosphoric esters and their salts, including lactophosphates, their halogenated…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Prephytoene diphosphate?

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

What is the price of Prephytoene diphosphate?

Suppliers quote Prephytoene diphosphate 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 Prephytoene diphosphate

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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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