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Nucleosides and nucleotides

Orb3177314

CAS 912921-33-6Formula C16H24N8O15P2Molar mass 630.36 g/mol
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Orb3177314 chemical structure, C16H24N8O15P2, CAS 912921-33-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
912921-33-6
Formula
C16H24N8O15P2
Molar mass
630.36 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb3177314?

Plain description, key identifiers and synonyms

Orb3177314 is a chemical substance with the molecular formula C16H24N8O15P2 and a molar mass of 630.36 g/mol. Its CAS registry number is 912921-33-6. The IUPAC name is [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S,6S)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S,6S)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl] hydrogen phosphate
CAS number
912921-33-6
Molecular formula
C16H24N8O15P2
InChIKey
JSVKWEUGLMCUGG-JGQUBWHWSA-N
InChI
InChI=1S/C16H24N8O15P2/c17-16-21-12-6(13(30)22-16)19-3-24(12)14-10(28)8(26)5(36-14)2-35-40(31,32)39-41(33,34)38-15-11(29)9(27)7(25)4(37-15)1-20-23-18/h3-5,7-11,14-15,25-29H,1-2H2,(H,31,32)(H,33,34)(H3,17,21,22,30)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
Canonical SMILES
[N-]=[N+]=NCC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(O)C(O)C1O
Isomeric SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CN=[N+]=[N-])O)O)O)O)O)N=C(NC2=O)N

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
630.36 g/molcalc.
Exact mass
630.0836 Dacalc.
LogP (octanol/water)
-3.31calc.
Topological polar surface area
360.3 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
10calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
11calc.
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]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OC2CCCCO2)O1

O=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OC2CCCCO2)O1

4 rings, 29 atoms.

26 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.

Orb3177314 suppliers

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Orb3177314 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

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 Orb3177314 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 Orb3177314 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3177314, based on the data on this page

What is Orb3177314?

Orb3177314 is a chemical substance with the molecular formula C16H24N8O15P2 and a molar mass of 630.36 g/mol. Its CAS registry number is 912921-33-6.

What is the CAS number of Orb3177314?

The CAS registry number of Orb3177314 is 912921-33-6.

What is the molecular formula and weight of Orb3177314?

The molecular formula of Orb3177314 is C16H24N8O15P2 and its molar mass is 630.36 g/mol.

Is Orb3177314 hazardous?

No GHS hazard classification for Orb3177314 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 Orb3177314?

Orb3177314 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 Orb3177314?

Post a free request on CompoundList and suppliers of Orb3177314 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3177314?

Suppliers quote Orb3177314 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 Orb3177314

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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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