Spectinomycin

Name: Spectinomycin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄N₂O₇ — CID 15541

💊View drug profile → spectinomycin

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one

SMILESCN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O

InChIInChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1

InChIKeyUNFWWIHTNXNPBV-WXKVUWSESA-N

MW332.35 g/mol

LogP-2.93

Rot. Bonds2

About Spectinomycin

Spectinomycin (PubChem CID 15541) has the molecular formula C₁₄H₂₄N₂O₇ and a molecular weight of 332.35 g/mol. Its IUPAC name is (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one.

Molecular Properties

Compound Name	Spectinomycin
PubChem CID	15541
Molecular Formula	C₁₄H₂₄N₂O₇
Molecular Weight	332.35 g/mol
Exact Mass	332.16
IUPAC Name	(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one
SMILES	CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O
InChI	InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKey	UNFWWIHTNXNPBV-WXKVUWSESA-N
XLogP	-2.93
TPSA	129.51 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.35
LogP ≤ 5	-2.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Spectinomycin?

The IUPAC name of Spectinomycin (CID 15541) is (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one.

What is the SMILES notation for Spectinomycin?

The canonical SMILES for Spectinomycin is CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.

What is the InChIKey of Spectinomycin?

The InChIKey is UNFWWIHTNXNPBV-WXKVUWSESA-N. The full InChI is InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1.

What are the key properties of Spectinomycin?

Spectinomycin has a molecular weight of 332.35 g/mol, XLogP of -2.93, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Spectinomycin is sourced from PubChem (CID 15541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: S · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 15541 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 2468 — approved-drug record (CC BY-SA 4.0)

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