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Nucleosides and nucleotides

Orb1908601

Also known as 1-Amino-7,8-dihydro-8-oxo-9-(|A-D-xylofuranosyl)guanine, 1,2-diamino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione

CAS 2389988-21-8Formula C10H14N6O6Molar mass 314.26 g/mol
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Orb1908601 chemical structure, C10H14N6O6, CAS 2389988-21-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2389988-21-8
Formula
C10H14N6O6
Molar mass
314.26 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb1908601?

Plain description, key identifiers and synonyms

Orb1908601 is a chemical substance with the molecular formula C10H14N6O6 and a molar mass of 314.26 g/mol. Its CAS registry number is 2389988-21-8. The IUPAC name is 1,2-diamino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2-diamino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione
CAS number
2389988-21-8
Molecular formula
C10H14N6O6
InChIKey
SIXZCFPRAGPNFK-SAFLGMAISA-N
InChI
InChI=1S/C10H14N6O6/c11-9-14-6-3(7(20)16(9)12)13-10(21)15(6)8-5(19)4(18)2(1-17)22-8/h2,4-5,8,17-19H,1,12H2,(H2,11,14)(H,13,21)/t2-,4+,5-,8-/m1/s1
Canonical SMILES
Nc1nc2c([nH]c(=O)n2C2OC(CO)C(O)C2O)c(=O)n1N
Isomeric SMILES
C([C@@H]1[C@@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N(C(=N3)N)N)NC2=O)O)O)O

Synonyms

  • 1-Amino-7,8-dihydro-8-oxo-9-(|A-D-xylofuranosyl)guanine
  • 1,2-diamino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione

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
314.26 g/molcalc.
Exact mass
314.0975 Dacalc.
LogP (octanol/water)
-4.21calc.
Topological polar surface area
194.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)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]cnc2c1[nH]c(=O)n2C1CCCO1

O=c1[nH]cnc2c1[nH]c(=O)n2C1CCCO1

3 rings, 16 atoms.

41 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.

Orb1908601 suppliers

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Orb1908601 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 Orb1908601 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 Orb1908601 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1908601, based on the data on this page

What is Orb1908601?

Orb1908601 is a chemical substance with the molecular formula C10H14N6O6 and a molar mass of 314.26 g/mol. Its CAS registry number is 2389988-21-8. The IUPAC name is 1,2-diamino-9-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-6,8-dione.

What is the CAS number of Orb1908601?

The CAS registry number of Orb1908601 is 2389988-21-8.

What is the molecular formula and weight of Orb1908601?

The molecular formula of Orb1908601 is C10H14N6O6 and its molar mass is 314.26 g/mol.

Is Orb1908601 hazardous?

No GHS hazard classification for Orb1908601 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 Orb1908601?

Orb1908601 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 Orb1908601?

Post a free request on CompoundList and suppliers of Orb1908601 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1908601?

Suppliers quote Orb1908601 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

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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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