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Nucleosides and nucleotides

Orb1907596

Also known as 5-Aminomethyl-2',3'-di-O-isopropylidene2-thiouridine, 5-(Aminomethyl)-2a?3a?O-(1-methylethylidene)-2-thiouridine, 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(aminomethyl)-2-sulfanylidenepyrimidin-4-one

CAS 1428903-07-4Formula C13H19N3O5SMolar mass 329.38 g/mol
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Orb1907596 chemical structure, C13H19N3O5S, CAS 1428903-07-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1428903-07-4
Formula
C13H19N3O5S
Molar mass
329.38 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb1907596?

Plain description, key identifiers and synonyms

Orb1907596 is a chemical substance with the molecular formula C13H19N3O5S and a molar mass of 329.38 g/mol. Its CAS registry number is 1428903-07-4. The IUPAC name is 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(aminomethyl)-2-sulfanylidenepyrimidin-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(aminomethyl)-2-sulfanylidenepyrimidin-4-one
CAS number
1428903-07-4
Molecular formula
C13H19N3O5S
InChIKey
LLYVIOOQSMCMDM-TURQNECASA-N
InChI
InChI=1S/C13H19N3O5S/c1-13(2)20-8-7(5-17)19-11(9(8)21-13)16-4-6(3-14)10(18)15-12(16)22/h4,7-9,11,17H,3,5,14H2,1-2H3,(H,15,18,22)/t7-,8-,9-,11-/m1/s1
Canonical SMILES
CC1(C)OC2C(CO)OC(n3cc(CN)c(=O)[nH]c3=S)C2O1
Isomeric SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=C(C(=O)NC3=S)CN)CO)C

Synonyms

  • 5-Aminomethyl-2',3'-di-O-isopropylidene2-thiouridine
  • 5-(Aminomethyl)-2a?3a?O-(1-methylethylidene)-2-thiouridine
  • 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(aminomethyl)-2-sulfanylidenepyrimidin-4-one

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
329.38 g/molcalc.
Exact mass
329.1045 Dacalc.
LogP (octanol/water)
-0.23calc.
Topological polar surface area
111.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
4calc.
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=c1ccn(C2OCC3OCOC32)c(=S)[nH]1

O=c1ccn(C2OCC3OCOC32)c(=S)[nH]1

3 rings, 16 atoms.

6 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.

Orb1907596 suppliers

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Orb1907596 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 Orb1907596 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 Orb1907596 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1907596, based on the data on this page

What is Orb1907596?

Orb1907596 is a chemical substance with the molecular formula C13H19N3O5S and a molar mass of 329.38 g/mol. Its CAS registry number is 1428903-07-4. The IUPAC name is 1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-(aminomethyl)-2-sulfanylidenepyrimidin-4-one.

What is the CAS number of Orb1907596?

The CAS registry number of Orb1907596 is 1428903-07-4.

What is the molecular formula and weight of Orb1907596?

The molecular formula of Orb1907596 is C13H19N3O5S and its molar mass is 329.38 g/mol.

Is Orb1907596 hazardous?

No GHS hazard classification for Orb1907596 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 Orb1907596?

Orb1907596 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 Orb1907596?

Post a free request on CompoundList and suppliers of Orb1907596 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1907596?

Suppliers quote Orb1907596 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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