CompoundList
Sign in
Screening compounds

Orb3024398

CAS 159991-59-0Formula C30H48NO10PMolar mass 613.69 g/mol
Get quotes Safety data
Orb3024398 chemical structure, C30H48NO10P, CAS 159991-59-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
159991-59-0
Formula
C30H48NO10P
Molar mass
613.69 g/mol
HS code
293220
Category
Screening compounds

What is Orb3024398?

Plain description, key identifiers and synonyms

Orb3024398 is a chemical substance with the molecular formula C30H48NO10P and a molar mass of 613.69 g/mol. Its CAS registry number is 159991-59-0. The IUPAC name is [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S,3S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
CAS number
159991-59-0
Molecular formula
C30H48NO10P
InChIKey
NDVHWGXRHYARME-YGLWLHRNSA-N
InChI
InChI=1S/C30H48NO10P/c1-4-23-12-13-28(33)40-26(23)14-15-30(35,16-17-31)27(41-42(36,37)38)20-24(32)10-6-5-8-22-9-7-11-25(19-22)39-29(34)18-21(2)3/h5-6,8,10,12-15,21-27,32,35H,4,7,9,11,16-20,31H2,1-3H3,(H2,36,37,38)/b8-5-,10-6-,15-14+/t22-,23+,24+,25+,26+,27-,30+/m1/s1
Canonical SMILES
CCC1C=CC(=O)OC1C=CC(O)(CCN)C(CC(O)C=CC=CC1CCCC(OC(=O)CC(C)C)C1)OP(=O)(O)O
Isomeric SMILES
CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](CCN)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)OC(=O)CC(C)C)O)OP(=O)(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
613.69 g/molcalc.
Exact mass
613.3016 Dacalc.
LogP (octanol/water)
3.62calc.
Topological polar surface area
185.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
16calc.
Heavy atoms
42calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1C=CCC(C=CCCCCC=CC=CC2CCCCC2)O1

O=C1C=CCC(C=CCCCCC=CC=CC2CCCCC2)O1

2 rings, 23 atoms.

11 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.

Orb3024398 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Orb3024398 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb3024398 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

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 Orb3024398 is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3024398 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3024398, based on the data on this page

What is Orb3024398?

Orb3024398 is a chemical substance with the molecular formula C30H48NO10P and a molar mass of 613.69 g/mol. Its CAS registry number is 159991-59-0.

What is the CAS number of Orb3024398?

The CAS registry number of Orb3024398 is 159991-59-0.

What is the molecular formula and weight of Orb3024398?

The molecular formula of Orb3024398 is C30H48NO10P and its molar mass is 613.69 g/mol.

What is Orb3024398 used for?

Known uses and roles of Orb3024398 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3024398 hazardous?

No GHS hazard classification for Orb3024398 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 Orb3024398?

Orb3024398 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3024398?

Post a free request on CompoundList and suppliers of Orb3024398 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3024398?

Suppliers quote Orb3024398 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 Orb3024398

Get quotes for Orb3024398

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb3024398
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb3024398 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb3024398-159991-59-0" title="Orb3024398 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293220

Price on request
Free quotes, contact stays private
Get quotes