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Nucleosides and nucleotides

Orb3179783

Also known as Riboflavin 5a(2)-(trihydrogen diphosphate), 6-hydroxy-, Pa(2)a5a(2) ester with adenosine

Formula C27H33N9O16P2Molar mass 801.56 g/mol
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Orb3179783 chemical structure, C27H33N9O16P2
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C27H33N9O16P2
Molar mass
801.56 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb3179783?

Plain description, key identifiers and synonyms

Orb3179783 is a chemical substance with the molecular formula C27H33N9O16P2 and a molar mass of 801.56 g/mol. The IUPAC name is [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4,6-trioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4,6-trioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Molecular formula
C27H33N9O16P2
InChIKey
UEPZLIXOILSTAA-UHFFFAOYSA-N
InChI
InChI=1S/C27H33N9O16P2/c1-9-3-11-15(18(39)10(9)2)32-17-24(33-27(44)34-25(17)43)35(11)4-12(37)19(40)13(38)5-49-53(45,46)52-54(47,48)50-6-14-20(41)21(42)26(51-14)36-8-31-16-22(28)29-7-30-23(16)36/h3,7-8,12-14,19-21,26,37-38,40-42H,4-6H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H2,33,34,43,44)
SMILES (canonical and isomeric)
CC1=C(C(=O)C2=NC3=C(NC(=O)NC3=O)N(C2=C1)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O)C

Synonyms

  • Riboflavin 5a(2)-(trihydrogen diphosphate), 6-hydroxy-, Pa(2)a5a(2) ester with adenosine

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
801.56 g/molcalc.
Exact mass
801.152 Dacalc.
LogP (octanol/water)
-3.13calc.
Topological polar surface area
382.9 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
19calc.
Rotatable bonds
13calc.
Heavy atoms
54calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (3 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=c1[nH]c(=O)c2nc3c(=O)cccc-3n(CCCCCO[PH](=O)O[PH](=O)OCC3CCC(n4cnc5cncnc54)O3)c2[nH]1

O=c1[nH]c(=O)c2nc3c(=O)cccc-3n(CCCCCO[PH](=O)O[PH](=O)OCC3CCC(n4cnc5cncnc54)O3)c2[nH]1

6 rings, 44 atoms.

2 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.

Orb3179783 suppliers

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Orb3179783 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb3179783 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3179783 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3179783, based on the data on this page

What is Orb3179783?

Orb3179783 is a chemical substance with the molecular formula C27H33N9O16P2 and a molar mass of 801.56 g/mol. The IUPAC name is [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(7,8-dimethyl-2,4,6-trioxo-1H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.

What is the molecular formula and weight of Orb3179783?

The molecular formula of Orb3179783 is C27H33N9O16P2 and its molar mass is 801.56 g/mol.

Is Orb3179783 hazardous?

No GHS hazard classification for Orb3179783 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 Orb3179783?

Orb3179783 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3179783?

Post a free request on CompoundList and suppliers of Orb3179783 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3179783?

Suppliers quote Orb3179783 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 Orb3179783

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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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