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Heterocyclic compounds

Oterna

CAS 78371-70-7Formula C55H97FN8O22S4Molar mass 1,369.68 g/mol
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Oterna chemical structure, C55H97FN8O22S4, CAS 78371-70-7
2D chemical structure

Key facts

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All properties
CAS number
78371-70-7
Formula
C55H97FN8O22S4
Molar mass
1,369.68 g/mol
HS code
293219
Category
Heterocyclic compounds

What is Oterna?

Plain description, key identifiers and synonyms

Oterna is a chemical substance with the molecular formula C55H97FN8O22S4 and a molar mass of 1,369.68 g/mol. Its CAS registry number is 78371-70-7. The IUPAC name is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol, diethylcarbamothioyl N,N-diethylcarbamodithioate, (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, sulfuric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol, diethylcarbamothioyl N,N-diethylcarbamodithioate, (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one, sulfuric acid
CAS number
78371-70-7 CAS number cross-checked
Molecular formula
C55H97FN8O22S4
InChIKey
FXJNASSPTBNNTK-PULVVKHOSA-N
InChI
InChI=1S/C23H46N6O13.C22H29FO5.C10H20N2S3.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;1-5-11(6-2)9(13)15-10(14)12(7-3)8-4;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;5-8H2,1-4H3;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;12-,15-,16-,17-,19-,20-,21-,22-;;/m10../s1
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO.CCN(CC)C(=S)SC(=S)N(CC)CC.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O
Isomeric SMILES
CCN(CC)C(=S)SC(=S)N(CC)CC.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O

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
1,369.68 g/molcalc.
Exact mass
1,368.5584 Dacalc.
LogP (octanol/water)
-4.68calc.
Topological polar surface area
529 Ųcalc.
Hydrogen bond donors
18calc.
Hydrogen bond acceptors
29calc.
Rotatable bonds
15calc.
Heavy atoms
90calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
27calc.
Components
4calc.
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, C1CCC(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

C1CCC(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

4 rings, 26 atoms.

49 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.

Oterna suppliers

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Oterna 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 Oterna is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Oterna?

Oterna is a chemical substance with the molecular formula C55H97FN8O22S4 and a molar mass of 1,369.68 g/mol. Its CAS registry number is 78371-70-7.

What is the CAS number of Oterna?

The CAS registry number of Oterna is 78371-70-7.

What is the molecular formula and weight of Oterna?

The molecular formula of Oterna is C55H97FN8O22S4 and its molar mass is 1,369.68 g/mol.

Is Oterna hazardous?

No GHS hazard classification for Oterna 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 Oterna?

Oterna is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Oterna?

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What is the price of Oterna?

Suppliers quote Oterna on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Practical guides that help when you source, ship or handle Oterna

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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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